NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25552 | 2k9s | 16001 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.080 1.003 -1.639 3 HB2 MET 1 1HB MET 1 3.751 -0.285 0.077 4 HB3 MET 1 2HB MET 1 3.663 -1.453 -1.235 5 HG2 MET 1 1HG MET 1 4.646 -0.026 -2.754 6 HG3 MET 1 2HG MET 1 4.207 1.415 -1.840 7 HE1 MET 1 3HE MET 1 7.542 2.329 -0.641 8 HE2 MET 1 1HE MET 1 6.263 2.636 -1.816 9 HE3 MET 1 2HE MET 1 5.884 2.585 -0.095 10 H ASP 2 H ASP 2 1.078 0.593 -3.486 11 HA ASP 2 HA ASP 2 -0.235 -1.923 -3.963 12 HB2 ASP 2 1HB ASP 2 -0.837 0.571 -4.728 13 HB3 ASP 2 2HB ASP 2 0.066 0.067 -6.153 14 H ASN 3 H ASN 3 0.203 -3.394 -5.628 15 HA ASN 3 HA ASN 3 2.852 -4.089 -6.034 16 HB2 ASN 3 1HB ASN 3 0.286 -4.821 -7.385 17 HB3 ASN 3 2HB ASN 3 1.804 -5.341 -8.112 18 HD21 ASN 3 2HD2 ASN 3 -0.592 -6.364 -6.237 19 HD22 ASN 3 1HD2 ASN 3 0.242 -7.496 -5.232 20 H ARG 4 H ARG 4 0.681 -2.274 -8.176 21 HA ARG 4 HA ARG 4 2.425 -1.993 -10.342 22 HB2 ARG 4 1HB ARG 4 0.203 -0.202 -9.355 23 HB3 ARG 4 2HB ARG 4 1.043 0.045 -10.880 24 HG2 ARG 4 1HG ARG 4 0.352 -2.414 -11.356 25 HG3 ARG 4 2HG ARG 4 -0.842 -2.126 -10.089 26 HD2 ARG 4 1HD ARG 4 -0.536 -0.167 -12.325 27 HD3 ARG 4 2HD ARG 4 -1.441 -1.658 -12.584 28 HE ARG 4 HE ARG 4 -2.298 -0.307 -10.230 29 HH11 ARG 4 2HH1 ARG 4 -2.545 -0.287 -13.703 30 HH12 ARG 4 1HH1 ARG 4 -4.097 0.484 -13.718 31 HH21 ARG 4 2HH2 ARG 4 -4.340 0.708 -10.237 32 HH22 ARG 4 1HH2 ARG 4 -5.117 1.050 -11.746 33 H VAL 5 H VAL 5 1.987 0.016 -7.460 34 HA VAL 5 HA VAL 5 3.816 2.042 -8.240 35 HB VAL 5 HB VAL 5 2.956 1.285 -5.444 36 HG11 VAL 5 1HG1 VAL 5 4.921 3.058 -6.265 37 HG12 VAL 5 2HG1 VAL 5 3.516 4.081 -5.958 38 HG13 VAL 5 3HG1 VAL 5 4.131 3.020 -4.689 39 HG21 VAL 5 3HG2 VAL 5 1.309 3.137 -5.738 40 HG22 VAL 5 1HG2 VAL 5 1.732 3.172 -7.449 41 HG23 VAL 5 2HG2 VAL 5 0.999 1.728 -6.751 42 H ARG 6 H ARG 6 4.125 -0.929 -6.362 43 HA ARG 6 HA ARG 6 6.730 -0.515 -5.400 44 HB2 ARG 6 1HB ARG 6 4.852 -2.742 -5.601 45 HB3 ARG 6 2HB ARG 6 6.529 -3.250 -5.751 46 HG2 ARG 6 1HG ARG 6 6.858 -3.035 -3.571 47 HG3 ARG 6 2HG ARG 6 6.228 -1.386 -3.581 48 HD2 ARG 6 1HD ARG 6 4.079 -2.064 -3.088 49 HD3 ARG 6 2HD ARG 6 4.331 -3.684 -3.735 50 HE ARG 6 HE ARG 6 5.924 -3.143 -1.416 51 HH11 ARG 6 2HH1 ARG 6 2.786 -4.154 -2.534 52 HH12 ARG 6 1HH1 ARG 6 2.405 -5.022 -1.083 53 HH21 ARG 6 2HH2 ARG 6 5.434 -4.282 0.498 54 HH22 ARG 6 1HH2 ARG 6 3.912 -5.094 0.641 55 H GLU 7 H GLU 7 5.526 -1.747 -8.458 56 HA GLU 7 HA GLU 7 7.922 -2.833 -9.442 57 HB2 GLU 7 1HB GLU 7 5.452 -2.906 -10.357 58 HB3 GLU 7 2HB GLU 7 5.976 -1.506 -11.283 59 HG2 GLU 7 1HG GLU 7 6.512 -3.106 -12.778 60 HG3 GLU 7 2HG GLU 7 8.005 -3.131 -11.841 61 H ALA 8 H ALA 8 6.673 0.444 -9.401 62 HA ALA 8 HA ALA 8 8.405 1.631 -11.243 63 HB1 ALA 8 1HB ALA 8 6.438 2.756 -10.320 64 HB2 ALA 8 2HB ALA 8 7.235 2.861 -8.750 65 HB3 ALA 8 3HB ALA 8 7.893 3.736 -10.133 66 H CYS 9 H CYS 9 8.854 0.820 -7.850 67 HA CYS 9 HA CYS 9 11.198 2.265 -7.361 68 HB2 CYS 9 1HB CYS 9 9.988 1.274 -5.531 69 HB3 CYS 9 2HB CYS 9 10.211 -0.341 -6.194 70 HG CYS 9 HG CYS 9 12.906 -0.499 -5.666 71 H GLN 10 H GLN 10 10.671 -0.824 -8.929 72 HA GLN 10 HA GLN 10 13.305 -1.778 -8.921 73 HB2 GLN 10 1HB GLN 10 11.203 -2.211 -11.049 74 HB3 GLN 10 2HB GLN 10 12.619 -3.214 -10.765 75 HG2 GLN 10 1HG GLN 10 10.517 -2.791 -8.668 76 HG3 GLN 10 2HG GLN 10 10.394 -4.059 -9.887 77 HE21 GLN 10 2HE2 GLN 10 10.640 -4.266 -6.988 78 HE22 GLN 10 1HE2 GLN 10 12.052 -5.217 -6.695 79 H TYR 11 H TYR 11 11.595 0.291 -11.232 80 HA TYR 11 HA TYR 11 13.750 0.473 -13.073 81 HB2 TYR 11 1HB TYR 11 11.557 0.948 -13.885 82 HB3 TYR 11 2HB TYR 11 11.285 2.162 -12.640 83 HD1 TYR 11 HD1 TYR 11 13.898 1.521 -15.246 84 HD2 TYR 11 HD2 TYR 11 11.247 4.316 -13.439 85 HE1 TYR 11 HE1 TYR 11 14.701 3.266 -16.782 86 HE2 TYR 11 HE2 TYR 11 12.042 6.068 -14.971 87 HH TYR 11 HH TYR 11 14.601 5.412 -17.344 88 H ILE 12 H ILE 12 12.552 2.660 -10.538 89 HA ILE 12 HA ILE 12 14.452 4.690 -10.911 90 HB ILE 12 HB ILE 12 13.034 3.903 -8.363 91 HG12 ILE 12 1HG1 ILE 12 12.163 6.284 -9.851 92 HG13 ILE 12 2HG1 ILE 12 11.905 4.767 -10.706 93 HG21 ILE 12 1HG2 ILE 12 14.817 6.163 -9.081 94 HG22 ILE 12 2HG2 ILE 12 13.426 6.505 -8.054 95 HG23 ILE 12 3HG2 ILE 12 14.624 5.315 -7.547 96 HD11 ILE 12 3HD1 ILE 12 9.947 4.883 -9.583 97 HD12 ILE 12 1HD1 ILE 12 10.907 4.060 -8.354 98 HD13 ILE 12 2HD1 ILE 12 10.638 5.800 -8.245 99 H SER 13 H SER 13 14.543 1.720 -9.031 100 HA SER 13 HA SER 13 16.797 2.217 -7.472 101 HB2 SER 13 1HB SER 13 15.495 0.279 -6.989 102 HB3 SER 13 2HB SER 13 15.698 -0.350 -8.624 103 HG SER 13 HG SER 13 17.367 -1.354 -7.860 104 H ASP 14 H ASP 14 16.550 0.896 -10.750 105 HA ASP 14 HA ASP 14 19.324 0.421 -11.081 106 HB2 ASP 14 1HB ASP 14 17.227 -0.397 -12.466 107 HB3 ASP 14 2HB ASP 14 17.574 1.039 -13.424 108 H HIS 15 H HIS 15 17.261 3.200 -11.648 109 HA HIS 15 HA HIS 15 19.487 4.694 -12.815 110 HB2 HIS 15 1HB HIS 15 16.534 5.231 -12.567 111 HB3 HIS 15 2HB HIS 15 17.665 6.500 -13.028 112 HD1 HIS 15 HD1 HIS 15 17.619 6.810 -15.469 113 HD2 HIS 15 HD2 HIS 15 17.176 2.813 -14.425 114 HE1 HIS 15 HE1 HIS 15 17.452 5.561 -17.645 115 H LEU 16 H LEU 16 19.075 3.875 -9.887 116 HA LEU 16 HA LEU 16 18.595 6.179 -8.354 117 HB2 LEU 16 1HB LEU 16 18.723 3.742 -7.607 118 HB3 LEU 16 2HB LEU 16 20.470 3.970 -7.560 119 HG LEU 16 HG LEU 16 20.065 5.846 -5.922 120 HD11 LEU 16 1HD1 LEU 16 17.922 6.533 -5.898 121 HD12 LEU 16 2HD1 LEU 16 17.730 5.233 -4.723 122 HD13 LEU 16 3HD1 LEU 16 17.299 4.965 -6.412 123 HD21 LEU 16 3HD2 LEU 16 20.840 3.621 -5.246 124 HD22 LEU 16 1HD2 LEU 16 19.166 3.084 -5.107 125 HD23 LEU 16 2HD2 LEU 16 19.781 4.340 -4.033 126 H ALA 17 H ALA 17 21.380 5.110 -10.118 127 HA ALA 17 HA ALA 17 23.116 7.068 -8.824 128 HB1 ALA 17 1HB ALA 17 23.622 4.897 -10.841 129 HB2 ALA 17 2HB ALA 17 24.845 6.088 -10.396 130 HB3 ALA 17 3HB ALA 17 24.190 4.998 -9.174 131 H ASP 18 H ASP 18 21.169 6.704 -11.628 132 HA ASP 18 HA ASP 18 22.495 8.422 -13.412 133 HB2 ASP 18 1HB ASP 18 20.395 6.836 -13.702 134 HB3 ASP 18 2HB ASP 18 19.511 8.323 -13.370 135 H SER 19 H SER 19 22.235 10.606 -13.880 136 HA SER 19 HA SER 19 21.487 12.234 -11.591 137 HB2 SER 19 1HB SER 19 22.499 13.373 -14.174 138 HB3 SER 19 2HB SER 19 22.769 13.936 -12.525 139 HG SER 19 HG SER 19 24.147 12.066 -14.001 140 H ASN 20 H ASN 20 20.696 12.061 -15.057 141 HA ASN 20 HA ASN 20 18.512 13.923 -14.759 142 HB2 ASN 20 1HB ASN 20 19.109 12.199 -17.165 143 HB3 ASN 20 2HB ASN 20 18.218 13.718 -17.119 144 HD21 ASN 20 2HD2 ASN 20 19.298 15.607 -17.245 145 HD22 ASN 20 1HD2 ASN 20 21.012 15.735 -17.426 146 H PHE 21 H PHE 21 16.820 13.184 -13.618 147 HA PHE 21 HA PHE 21 15.808 10.487 -14.187 148 HB2 PHE 21 1HB PHE 21 16.308 11.019 -11.822 149 HB3 PHE 21 2HB PHE 21 15.136 12.332 -11.886 150 HD1 PHE 21 HD2 PHE 21 14.929 8.872 -13.235 151 HD2 PHE 21 HD1 PHE 21 13.430 11.722 -10.451 152 HE1 PHE 21 HE2 PHE 21 13.144 7.304 -12.596 153 HE2 PHE 21 HE1 PHE 21 11.643 10.158 -9.807 154 HZ PHE 21 HZ PHE 21 11.498 7.946 -10.881 155 H ASP 22 H ASP 22 13.984 10.218 -15.293 156 HA ASP 22 HA ASP 22 12.246 12.564 -15.698 157 HB2 ASP 22 1HB ASP 22 13.457 11.774 -17.737 158 HB3 ASP 22 2HB ASP 22 12.624 10.230 -17.584 159 H ILE 23 H ILE 23 10.474 12.369 -14.501 160 HA ILE 23 HA ILE 23 9.490 10.024 -13.365 161 HB ILE 23 HB ILE 23 8.896 12.345 -12.649 162 HG12 ILE 23 1HG1 ILE 23 6.577 10.479 -13.195 163 HG13 ILE 23 2HG1 ILE 23 7.666 10.392 -11.815 164 HG21 ILE 23 1HG2 ILE 23 7.195 13.580 -13.764 165 HG22 ILE 23 2HG2 ILE 23 8.400 13.141 -14.974 166 HG23 ILE 23 3HG2 ILE 23 6.879 12.253 -14.881 167 HD11 ILE 23 3HD1 ILE 23 5.921 11.484 -10.863 168 HD12 ILE 23 1HD1 ILE 23 6.834 12.870 -11.459 169 HD13 ILE 23 2HD1 ILE 23 5.446 12.271 -12.368 170 H ALA 24 H ALA 24 9.083 11.306 -16.546 171 HA ALA 24 HA ALA 24 6.680 10.107 -17.316 172 HB1 ALA 24 1HB ALA 24 7.274 11.454 -19.003 173 HB2 ALA 24 2HB ALA 24 8.997 11.275 -18.669 174 HB3 ALA 24 3HB ALA 24 8.149 10.049 -19.611 175 H SER 25 H SER 25 10.000 8.858 -17.430 176 HA SER 25 HA SER 25 9.381 6.410 -18.680 177 HB2 SER 25 1HB SER 25 11.676 7.187 -16.869 178 HB3 SER 25 2HB SER 25 11.587 5.656 -17.741 179 HG SER 25 HG SER 25 12.642 6.882 -19.148 180 H VAL 26 H VAL 26 9.193 7.482 -15.372 181 HA VAL 26 HA VAL 26 9.084 4.962 -14.109 182 HB VAL 26 HB VAL 26 7.797 7.546 -13.216 183 HG11 VAL 26 1HG1 VAL 26 8.606 5.126 -11.607 184 HG12 VAL 26 2HG1 VAL 26 7.855 6.598 -10.989 185 HG13 VAL 26 3HG1 VAL 26 6.953 5.533 -12.068 186 HG21 VAL 26 3HG2 VAL 26 10.497 6.431 -12.470 187 HG22 VAL 26 1HG2 VAL 26 10.241 7.699 -13.669 188 HG23 VAL 26 2HG2 VAL 26 9.810 7.980 -11.982 189 H ALA 27 H ALA 27 6.511 7.134 -15.252 190 HA ALA 27 HA ALA 27 4.371 5.442 -14.488 191 HB1 ALA 27 1HB ALA 27 4.637 8.015 -15.538 192 HB2 ALA 27 2HB ALA 27 3.702 7.115 -16.734 193 HB3 ALA 27 3HB ALA 27 3.145 7.203 -15.063 194 H GLN 28 H GLN 28 6.192 5.834 -17.490 195 HA GLN 28 HA GLN 28 4.590 4.189 -19.112 196 HB2 GLN 28 1HB GLN 28 6.231 5.688 -20.079 197 HB3 GLN 28 2HB GLN 28 7.539 4.827 -19.280 198 HG2 GLN 28 1HG GLN 28 7.250 2.924 -20.653 199 HG3 GLN 28 2HG GLN 28 5.720 3.529 -21.285 200 HE21 GLN 28 2HE2 GLN 28 6.174 6.000 -22.060 201 HE22 GLN 28 1HE2 GLN 28 7.423 6.087 -23.251 202 H HIS 29 H HIS 29 7.261 3.471 -16.936 203 HA HIS 29 HA HIS 29 7.762 0.831 -17.686 204 HB2 HIS 29 1HB HIS 29 9.290 1.893 -16.201 205 HB3 HIS 29 2HB HIS 29 8.021 2.239 -15.030 206 HD1 HIS 29 HD1 HIS 29 8.620 -1.136 -16.619 207 HD2 HIS 29 HD2 HIS 29 8.999 0.756 -12.940 208 HE1 HIS 29 HE1 HIS 29 9.188 -2.958 -14.981 209 H VAL 30 H VAL 30 5.270 2.198 -15.626 210 HA VAL 30 HA VAL 30 4.261 -0.471 -14.977 211 HB VAL 30 HB VAL 30 2.721 0.664 -13.451 212 HG11 VAL 30 1HG1 VAL 30 4.632 0.116 -12.305 213 HG12 VAL 30 2HG1 VAL 30 5.654 1.168 -13.286 214 HG13 VAL 30 3HG1 VAL 30 4.595 1.861 -12.057 215 HG21 VAL 30 3HG2 VAL 30 2.736 3.035 -13.122 216 HG22 VAL 30 1HG2 VAL 30 4.071 3.235 -14.257 217 HG23 VAL 30 2HG2 VAL 30 2.486 2.728 -14.840 218 H CYS 31 H CYS 31 4.072 1.098 -17.633 219 HA CYS 31 HA CYS 31 2.564 1.439 -19.306 220 HB2 CYS 31 1HB CYS 31 1.087 -0.781 -17.875 221 HB3 CYS 31 2HB CYS 31 0.838 -0.286 -19.545 222 HG CYS 31 HG CYS 31 3.555 -1.878 -18.229 223 H LEU 32 H LEU 32 2.265 3.153 -17.066 224 HA LEU 32 HA LEU 32 -0.573 3.821 -17.363 225 HB2 LEU 32 1HB LEU 32 0.089 2.607 -15.146 226 HB3 LEU 32 2HB LEU 32 0.741 4.184 -14.706 227 HG LEU 32 HG LEU 32 -1.502 5.165 -15.014 228 HD11 LEU 32 1HD1 LEU 32 -2.524 3.754 -16.600 229 HD12 LEU 32 2HD1 LEU 32 -3.417 3.513 -15.099 230 HD13 LEU 32 3HD1 LEU 32 -2.234 2.314 -15.623 231 HD21 LEU 32 3HD2 LEU 32 -1.703 2.823 -13.147 232 HD22 LEU 32 1HD2 LEU 32 -2.358 4.449 -12.956 233 HD23 LEU 32 2HD2 LEU 32 -0.619 4.179 -12.829 234 H SER 33 H SER 33 -1.038 6.081 -16.678 235 HA SER 33 HA SER 33 0.890 7.848 -17.832 236 HB2 SER 33 1HB SER 33 -1.864 8.107 -16.725 237 HB3 SER 33 2HB SER 33 -0.884 9.570 -16.825 238 HG SER 33 HG SER 33 -2.268 8.646 -18.738 239 HA PRO 34 HA PRO 34 3.099 9.278 -14.324 240 HB2 PRO 34 1HB PRO 34 3.349 11.932 -14.837 241 HB3 PRO 34 2HB PRO 34 4.232 10.693 -15.735 242 HG2 PRO 34 1HG PRO 34 1.732 12.157 -16.488 243 HG3 PRO 34 2HG PRO 34 3.143 11.765 -17.488 244 HD2 PRO 34 1HD PRO 34 0.847 10.333 -17.582 245 HD3 PRO 34 2HD PRO 34 2.442 9.599 -17.850 246 H SER 35 H SER 35 0.282 11.275 -15.154 247 HA SER 35 HA SER 35 0.047 12.509 -12.615 248 HB2 SER 35 1HB SER 35 -1.744 12.214 -14.999 249 HB3 SER 35 2HB SER 35 -2.417 12.824 -13.487 250 HG SER 35 HG SER 35 -1.680 14.551 -14.713 251 H ARG 36 H ARG 36 -1.594 9.724 -14.088 252 HA ARG 36 HA ARG 36 -3.261 9.157 -11.882 253 HB2 ARG 36 1HB ARG 36 -3.459 8.304 -14.289 254 HB3 ARG 36 2HB ARG 36 -2.255 7.104 -13.843 255 HG2 ARG 36 1HG ARG 36 -4.341 6.050 -13.606 256 HG3 ARG 36 2HG ARG 36 -3.806 6.429 -11.968 257 HD2 ARG 36 1HD ARG 36 -6.184 6.946 -12.315 258 HD3 ARG 36 2HD ARG 36 -5.240 8.381 -11.919 259 HE ARG 36 HE ARG 36 -5.545 7.958 -14.741 260 HH11 ARG 36 2HH1 ARG 36 -7.001 9.313 -11.885 261 HH12 ARG 36 1HH1 ARG 36 -7.957 10.464 -12.759 262 HH21 ARG 36 2HH2 ARG 36 -6.798 9.468 -15.904 263 HH22 ARG 36 1HH2 ARG 36 -7.841 10.550 -15.046 264 H LEU 37 H LEU 37 -0.071 7.946 -12.831 265 HA LEU 37 HA LEU 37 0.157 6.070 -10.714 266 HB2 LEU 37 1HB LEU 37 1.498 5.819 -12.685 267 HB3 LEU 37 2HB LEU 37 2.222 7.409 -12.450 268 HG LEU 37 HG LEU 37 3.122 6.381 -10.236 269 HD11 LEU 37 1HD1 LEU 37 1.920 4.082 -11.566 270 HD12 LEU 37 2HD1 LEU 37 2.429 4.288 -9.890 271 HD13 LEU 37 3HD1 LEU 37 3.609 3.835 -11.121 272 HD21 LEU 37 3HD2 LEU 37 4.177 6.798 -12.730 273 HD22 LEU 37 1HD2 LEU 37 4.565 5.105 -12.428 274 HD23 LEU 37 2HD2 LEU 37 5.093 6.346 -11.291 275 H SER 38 H SER 38 1.306 9.396 -11.141 276 HA SER 38 HA SER 38 2.761 9.608 -8.761 277 HB2 SER 38 1HB SER 38 2.511 12.044 -9.036 278 HB3 SER 38 2HB SER 38 2.920 11.265 -10.564 279 HG SER 38 HG SER 38 1.196 12.821 -10.714 280 H HIS 39 H HIS 39 -0.661 10.144 -9.441 281 HA HIS 39 HA HIS 39 -1.404 11.261 -6.987 282 HB2 HIS 39 1HB HIS 39 -2.858 11.207 -8.989 283 HB3 HIS 39 2HB HIS 39 -3.059 9.470 -8.778 284 HD1 HIS 39 HD1 HIS 39 -4.473 12.674 -7.784 285 HD2 HIS 39 HD2 HIS 39 -4.461 8.792 -6.303 286 HE1 HIS 39 HE1 HIS 39 -6.365 12.579 -6.130 287 H LEU 40 H LEU 40 -1.405 7.862 -8.033 288 HA LEU 40 HA LEU 40 -2.269 6.864 -5.507 289 HB2 LEU 40 1HB LEU 40 -0.858 5.410 -7.738 290 HB3 LEU 40 2HB LEU 40 -1.749 4.671 -6.409 291 HG LEU 40 HG LEU 40 -2.897 6.302 -8.672 292 HD11 LEU 40 1HD1 LEU 40 -3.967 3.656 -8.245 293 HD12 LEU 40 2HD1 LEU 40 -2.227 3.608 -8.529 294 HD13 LEU 40 3HD1 LEU 40 -3.292 4.377 -9.706 295 HD21 LEU 40 3HD2 LEU 40 -4.235 5.092 -6.255 296 HD22 LEU 40 1HD2 LEU 40 -5.085 5.720 -7.668 297 HD23 LEU 40 2HD2 LEU 40 -4.124 6.805 -6.663 298 H PHE 41 H PHE 41 0.835 7.521 -6.967 299 HA PHE 41 HA PHE 41 2.483 6.019 -5.281 300 HB2 PHE 41 1HB PHE 41 2.895 7.699 -7.401 301 HB3 PHE 41 2HB PHE 41 3.556 8.642 -6.069 302 HD1 PHE 41 HD2 PHE 41 5.479 7.835 -4.808 303 HD2 PHE 41 HD1 PHE 41 3.941 5.671 -8.135 304 HE1 PHE 41 HE2 PHE 41 7.555 6.519 -4.908 305 HE2 PHE 41 HE1 PHE 41 6.014 4.351 -8.239 306 HZ PHE 41 HZ PHE 41 7.825 4.775 -6.625 307 H ARG 42 H ARG 42 1.429 9.406 -4.990 308 HA ARG 42 HA ARG 42 2.712 9.847 -2.499 309 HB2 ARG 42 1HB ARG 42 2.002 11.638 -4.101 310 HB3 ARG 42 2HB ARG 42 0.336 11.328 -3.633 311 HG2 ARG 42 1HG ARG 42 0.624 12.215 -1.520 312 HG3 ARG 42 2HG ARG 42 2.374 11.991 -1.554 313 HD2 ARG 42 1HD ARG 42 2.213 14.262 -1.869 314 HD3 ARG 42 2HD ARG 42 2.254 13.691 -3.536 315 HE ARG 42 HE ARG 42 0.110 14.442 -3.807 316 HH11 ARG 42 2HH1 ARG 42 0.837 14.273 -0.406 317 HH12 ARG 42 1HH1 ARG 42 -0.627 15.061 0.079 318 HH21 ARG 42 2HH2 ARG 42 -1.822 15.481 -3.180 319 HH22 ARG 42 1HH2 ARG 42 -2.140 15.747 -1.499 320 H GLN 43 H GLN 43 -0.315 8.439 -3.413 321 HA GLN 43 HA GLN 43 -1.553 8.714 -0.835 322 HB2 GLN 43 1HB GLN 43 -2.733 8.469 -3.097 323 HB3 GLN 43 2HB GLN 43 -2.359 6.755 -2.975 324 HG2 GLN 43 1HG GLN 43 -4.456 6.782 -2.092 325 HG3 GLN 43 2HG GLN 43 -3.497 6.994 -0.628 326 HE21 GLN 43 2HE2 GLN 43 -5.367 7.926 0.332 327 HE22 GLN 43 1HE2 GLN 43 -5.792 9.569 0.011 328 H GLN 44 H GLN 44 0.162 6.167 -2.580 329 HA GLN 44 HA GLN 44 -0.198 4.253 -0.452 330 HB2 GLN 44 1HB GLN 44 1.488 4.184 -2.958 331 HB3 GLN 44 2HB GLN 44 1.337 2.842 -1.831 332 HG2 GLN 44 1HG GLN 44 -1.070 4.067 -3.121 333 HG3 GLN 44 2HG GLN 44 -0.112 2.835 -3.940 334 HE21 GLN 44 2HE2 GLN 44 -2.566 2.108 -3.620 335 HE22 GLN 44 1HE2 GLN 44 -2.784 1.013 -2.301 336 H LEU 45 H LEU 45 2.386 6.333 -1.655 337 HA LEU 45 HA LEU 45 4.233 5.369 0.370 338 HB2 LEU 45 1HB LEU 45 4.517 6.471 -2.165 339 HB3 LEU 45 2HB LEU 45 5.076 7.735 -1.072 340 HG LEU 45 HG LEU 45 6.134 4.946 -0.818 341 HD11 LEU 45 1HD1 LEU 45 7.938 5.500 -2.347 342 HD12 LEU 45 2HD1 LEU 45 7.183 7.053 -2.703 343 HD13 LEU 45 3HD1 LEU 45 6.383 5.555 -3.178 344 HD21 LEU 45 3HD2 LEU 45 7.601 7.521 -0.399 345 HD22 LEU 45 1HD2 LEU 45 7.889 5.938 0.325 346 HD23 LEU 45 2HD2 LEU 45 6.502 6.901 0.835 347 H GLY 46 H GLY 46 1.891 7.817 0.017 348 HA2 GLY 46 1HA GLY 46 1.189 9.455 1.468 349 HA3 GLY 46 2HA GLY 46 2.288 8.774 2.658 350 H ILE 47 H ILE 47 3.928 9.507 -0.171 351 HA ILE 47 HA ILE 47 4.456 12.283 0.517 352 HB ILE 47 HB ILE 47 6.835 12.029 0.751 353 HG12 ILE 47 1HG1 ILE 47 6.353 9.067 0.366 354 HG13 ILE 47 2HG1 ILE 47 7.163 10.140 -0.770 355 HG21 ILE 47 1HG2 ILE 47 5.507 11.803 2.779 356 HG22 ILE 47 2HG2 ILE 47 5.383 10.064 2.517 357 HG23 ILE 47 3HG2 ILE 47 6.951 10.795 2.862 358 HD11 ILE 47 3HD1 ILE 47 8.120 9.140 1.880 359 HD12 ILE 47 1HD1 ILE 47 8.896 9.029 0.301 360 HD13 ILE 47 2HD1 ILE 47 8.815 10.580 1.138 361 H SER 48 H SER 48 6.187 13.182 -1.040 362 HA SER 48 HA SER 48 5.299 12.588 -3.705 363 HB2 SER 48 1HB SER 48 7.628 14.386 -3.118 364 HB3 SER 48 2HB SER 48 6.379 14.546 -4.353 365 HG SER 48 HG SER 48 6.373 15.878 -2.236 366 H VAL 49 H VAL 49 6.514 11.796 -5.423 367 HA VAL 49 HA VAL 49 8.215 9.665 -4.937 368 HB VAL 49 HB VAL 49 8.208 11.332 -7.454 369 HG11 VAL 49 1HG1 VAL 49 8.861 9.258 -8.552 370 HG12 VAL 49 2HG1 VAL 49 10.025 9.696 -7.300 371 HG13 VAL 49 3HG1 VAL 49 8.845 8.419 -7.002 372 HG21 VAL 49 3HG2 VAL 49 6.124 9.728 -6.256 373 HG22 VAL 49 1HG2 VAL 49 6.064 10.775 -7.674 374 HG23 VAL 49 2HG2 VAL 49 6.590 9.099 -7.836 375 H LEU 50 H LEU 50 8.999 13.040 -5.626 376 HA LEU 50 HA LEU 50 11.777 12.736 -5.907 377 HB2 LEU 50 1HB LEU 50 10.341 15.137 -4.794 378 HB3 LEU 50 2HB LEU 50 11.925 15.106 -5.565 379 HG LEU 50 HG LEU 50 9.247 14.693 -6.886 380 HD11 LEU 50 1HD1 LEU 50 10.215 16.671 -8.241 381 HD12 LEU 50 2HD1 LEU 50 11.274 16.891 -6.849 382 HD13 LEU 50 3HD1 LEU 50 9.524 16.978 -6.647 383 HD21 LEU 50 3HD2 LEU 50 12.009 14.524 -8.087 384 HD22 LEU 50 1HD2 LEU 50 10.485 14.454 -8.973 385 HD23 LEU 50 2HD2 LEU 50 10.906 13.170 -7.839 386 H SER 51 H SER 51 9.736 13.192 -3.074 387 HA SER 51 HA SER 51 11.896 13.565 -1.246 388 HB2 SER 51 1HB SER 51 9.773 14.439 -0.598 389 HB3 SER 51 2HB SER 51 8.977 12.888 -0.864 390 HG SER 51 HG SER 51 9.970 13.775 1.380 391 H TRP 52 H TRP 52 9.886 10.804 -2.180 392 HA TRP 52 HA TRP 52 10.863 8.949 -0.335 393 HB2 TRP 52 1HB TRP 52 8.903 8.415 -1.601 394 HB3 TRP 52 2HB TRP 52 9.768 8.585 -3.126 395 HD1 TRP 52 HD1 TRP 52 9.850 6.279 -0.002 396 HE1 TRP 52 HE1 TRP 52 10.521 3.920 -0.782 397 HE3 TRP 52 HE3 TRP 52 10.663 7.260 -4.954 398 HZ2 TRP 52 HZ2 TRP 52 11.294 2.643 -3.178 399 HZ3 TRP 52 HZ3 TRP 52 11.366 5.415 -6.422 400 HH2 TRP 52 HH2 TRP 52 11.675 3.155 -5.550 401 H ARG 53 H ARG 53 12.046 9.829 -3.554 402 HA ARG 53 HA ARG 53 14.044 7.881 -3.780 403 HB2 ARG 53 1HB ARG 53 13.267 9.308 -5.645 404 HB3 ARG 53 2HB ARG 53 14.058 10.690 -4.897 405 HG2 ARG 53 1HG ARG 53 16.171 9.932 -5.409 406 HG3 ARG 53 2HG ARG 53 15.650 8.250 -5.535 407 HD2 ARG 53 1HD ARG 53 15.287 8.460 -7.719 408 HD3 ARG 53 2HD ARG 53 14.277 9.883 -7.466 409 HE ARG 53 HE ARG 53 17.011 9.838 -8.314 410 HH11 ARG 53 2HH1 ARG 53 14.592 11.706 -6.646 411 HH12 ARG 53 1HH1 ARG 53 15.355 13.227 -6.972 412 HH21 ARG 53 2HH2 ARG 53 18.025 11.834 -8.749 413 HH22 ARG 53 1HH2 ARG 53 17.307 13.299 -8.169 414 H GLU 54 H GLU 54 14.196 11.189 -2.491 415 HA GLU 54 HA GLU 54 16.948 11.125 -1.854 416 HB2 GLU 54 1HB GLU 54 15.668 13.215 -2.066 417 HB3 GLU 54 2HB GLU 54 14.743 12.793 -0.632 418 HG2 GLU 54 1HG GLU 54 16.697 12.958 0.749 419 HG3 GLU 54 2HG GLU 54 17.723 13.202 -0.664 420 H ASP 55 H ASP 55 14.038 10.436 0.044 421 HA ASP 55 HA ASP 55 15.204 10.072 2.538 422 HB2 ASP 55 1HB ASP 55 12.718 10.066 1.892 423 HB3 ASP 55 2HB ASP 55 12.941 8.356 1.534 424 H GLN 56 H GLN 56 14.648 7.665 -0.022 425 HA GLN 56 HA GLN 56 15.812 5.503 1.378 426 HB2 GLN 56 1HB GLN 56 15.375 5.952 -1.577 427 HB3 GLN 56 2HB GLN 56 15.932 4.433 -0.888 428 HG2 GLN 56 1HG GLN 56 13.316 5.774 -0.243 429 HG3 GLN 56 2HG GLN 56 13.528 4.436 -1.371 430 HE21 GLN 56 2HE2 GLN 56 14.104 2.391 -0.561 431 HE22 GLN 56 1HE2 GLN 56 13.827 1.969 1.091 432 H ARG 57 H ARG 57 17.118 7.961 -0.762 433 HA ARG 57 HA ARG 57 19.614 6.821 -1.292 434 HB2 ARG 57 1HB ARG 57 18.571 9.625 -1.217 435 HB3 ARG 57 2HB ARG 57 20.301 9.357 -1.391 436 HG2 ARG 57 1HG ARG 57 20.026 8.234 -3.440 437 HG3 ARG 57 2HG ARG 57 18.287 8.060 -3.199 438 HD2 ARG 57 1HD ARG 57 17.850 10.232 -3.777 439 HD3 ARG 57 2HD ARG 57 19.434 10.802 -3.254 440 HE ARG 57 HE ARG 57 19.659 9.092 -5.508 441 HH11 ARG 57 2HH1 ARG 57 18.757 12.319 -4.564 442 HH12 ARG 57 1HH1 ARG 57 19.148 13.018 -6.100 443 HH21 ARG 57 2HH2 ARG 57 20.177 10.000 -7.535 444 HH22 ARG 57 1HH2 ARG 57 19.955 11.698 -7.790 445 H ILE 58 H ILE 58 18.578 8.936 1.363 446 HA ILE 58 HA ILE 58 21.136 9.034 2.609 447 HB ILE 58 HB ILE 58 18.415 9.572 3.806 448 HG12 ILE 58 1HG1 ILE 58 18.895 11.010 1.879 449 HG13 ILE 58 2HG1 ILE 58 18.935 11.936 3.376 450 HG21 ILE 58 1HG2 ILE 58 19.508 9.700 5.739 451 HG22 ILE 58 2HG2 ILE 58 21.070 9.520 4.942 452 HG23 ILE 58 3HG2 ILE 58 20.336 11.116 5.092 453 HD11 ILE 58 3HD1 ILE 58 20.972 11.584 1.388 454 HD12 ILE 58 1HD1 ILE 58 20.912 12.700 2.752 455 HD13 ILE 58 2HD1 ILE 58 21.554 11.072 2.972 456 H SER 59 H SER 59 18.194 7.141 3.209 457 HA SER 59 HA SER 59 19.069 5.789 5.494 458 HB2 SER 59 1HB SER 59 16.721 5.805 4.666 459 HB3 SER 59 2HB SER 59 17.206 4.730 3.355 460 HG SER 59 HG SER 59 17.501 3.112 4.764 461 H GLN 60 H GLN 60 19.525 5.082 2.072 462 HA GLN 60 HA GLN 60 20.712 2.525 2.472 463 HB2 GLN 60 1HB GLN 60 19.636 3.436 0.336 464 HB3 GLN 60 2HB GLN 60 21.147 4.297 0.075 465 HG2 GLN 60 1HG GLN 60 21.106 2.229 -1.181 466 HG3 GLN 60 2HG GLN 60 22.358 2.181 0.059 467 HE21 GLN 60 2HE2 GLN 60 22.145 0.788 1.790 468 HE22 GLN 60 1HE2 GLN 60 20.979 -0.486 1.821 469 H ALA 61 H ALA 61 21.963 5.801 2.123 470 HA ALA 61 HA ALA 61 24.692 5.140 1.896 471 HB1 ALA 61 1HB ALA 61 23.402 7.410 1.575 472 HB2 ALA 61 2HB ALA 61 23.872 7.656 3.258 473 HB3 ALA 61 3HB ALA 61 25.107 7.386 2.028 474 H LYS 62 H LYS 62 22.696 5.945 4.722 475 HA LYS 62 HA LYS 62 24.827 5.686 6.594 476 HB2 LYS 62 1HB LYS 62 23.050 5.760 8.298 477 HB3 LYS 62 2HB LYS 62 22.872 7.042 7.107 478 HG2 LYS 62 1HG LYS 62 21.206 5.555 5.934 479 HG3 LYS 62 2HG LYS 62 21.261 4.520 7.364 480 HD2 LYS 62 1HD LYS 62 20.524 7.448 7.344 481 HD3 LYS 62 2HD LYS 62 19.383 6.104 7.443 482 HE2 LYS 62 1HE LYS 62 21.522 6.808 9.449 483 HE3 LYS 62 2HE LYS 62 19.783 7.016 9.649 484 HZ1 LYS 62 3HZ LYS 62 20.368 5.049 10.780 485 HZ2 LYS 62 1HZ LYS 62 21.297 4.474 9.488 486 HZ3 LYS 62 2HZ LYS 62 19.613 4.545 9.352 487 H LEU 63 H LEU 63 22.433 3.499 5.271 488 HA LEU 63 HA LEU 63 22.796 1.402 7.143 489 HB2 LEU 63 1HB LEU 63 20.848 1.645 5.621 490 HB3 LEU 63 2HB LEU 63 21.894 1.203 4.274 491 HG LEU 63 HG LEU 63 21.649 -0.679 6.573 492 HD11 LEU 63 1HD1 LEU 63 19.727 -1.676 5.073 493 HD12 LEU 63 2HD1 LEU 63 19.495 0.019 4.646 494 HD13 LEU 63 3HD1 LEU 63 19.387 -0.488 6.331 495 HD21 LEU 63 3HD2 LEU 63 21.526 -2.022 4.161 496 HD22 LEU 63 1HD2 LEU 63 22.961 -1.794 5.160 497 HD23 LEU 63 2HD2 LEU 63 22.621 -0.677 3.838 498 H LEU 64 H LEU 64 24.105 1.930 3.875 499 HA LEU 64 HA LEU 64 25.758 -0.381 3.913 500 HB2 LEU 64 1HB LEU 64 26.615 0.364 1.863 501 HB3 LEU 64 2HB LEU 64 24.931 0.883 1.885 502 HG LEU 64 HG LEU 64 26.045 3.124 2.794 503 HD11 LEU 64 1HD1 LEU 64 28.256 1.558 1.683 504 HD12 LEU 64 2HD1 LEU 64 28.277 2.948 2.769 505 HD13 LEU 64 3HD1 LEU 64 28.114 3.190 1.029 506 HD21 LEU 64 3HD2 LEU 64 24.617 2.719 0.752 507 HD22 LEU 64 1HD2 LEU 64 26.117 2.454 -0.138 508 HD23 LEU 64 2HD2 LEU 64 25.804 4.017 0.616 509 H LEU 65 H LEU 65 26.266 3.006 4.734 510 HA LEU 65 HA LEU 65 29.038 3.021 4.968 511 HB2 LEU 65 1HB LEU 65 26.816 4.592 6.147 512 HB3 LEU 65 2HB LEU 65 28.404 4.741 6.897 513 HG LEU 65 HG LEU 65 28.065 5.157 3.949 514 HD11 LEU 65 1HD1 LEU 65 27.408 7.352 4.175 515 HD12 LEU 65 2HD1 LEU 65 27.929 7.449 5.857 516 HD13 LEU 65 3HD1 LEU 65 26.460 6.567 5.439 517 HD21 LEU 65 3HD2 LEU 65 30.049 5.970 6.052 518 HD22 LEU 65 1HD2 LEU 65 29.975 6.763 4.478 519 HD23 LEU 65 2HD2 LEU 65 30.320 5.037 4.580 520 H SER 66 H SER 66 26.601 1.703 7.073 521 HA SER 66 HA SER 66 28.291 1.425 9.364 522 HB2 SER 66 1HB SER 66 26.463 0.469 10.417 523 HB3 SER 66 2HB SER 66 25.662 1.424 9.170 524 HG SER 66 HG SER 66 24.789 -0.427 8.674 525 H THR 67 H THR 67 27.452 -0.579 6.614 526 HA THR 67 HA THR 67 29.031 -2.800 7.689 527 HB THR 67 HB THR 67 26.846 -3.406 6.792 528 HG1 THR 67 HG1 THR 67 27.910 -5.148 6.252 529 HG21 THR 67 3HG2 THR 67 26.792 -3.256 4.143 530 HG22 THR 67 1HG2 THR 67 27.813 -1.851 4.448 531 HG23 THR 67 2HG2 THR 67 26.201 -1.941 5.158 532 H THR 68 H THR 68 29.789 -0.095 6.208 533 HA THR 68 HA THR 68 31.906 -1.357 4.605 534 HB THR 68 HB THR 68 31.736 0.352 2.895 535 HG1 THR 68 HG1 THR 68 30.488 2.081 3.119 536 HG21 THR 68 3HG2 THR 68 28.949 -0.202 2.724 537 HG22 THR 68 1HG2 THR 68 29.754 -1.615 3.405 538 HG23 THR 68 2HG2 THR 68 30.277 -0.966 1.851 539 H ARG 69 H ARG 69 33.800 0.012 4.287 540 HA ARG 69 HA ARG 69 34.111 2.012 6.430 541 HB2 ARG 69 1HB ARG 69 36.436 1.293 6.678 542 HB3 ARG 69 2HB ARG 69 35.330 -0.043 6.968 543 HG2 ARG 69 1HG ARG 69 36.757 -1.147 5.629 544 HG3 ARG 69 2HG ARG 69 35.800 -0.400 4.348 545 HD2 ARG 69 1HD ARG 69 37.553 0.769 3.636 546 HD3 ARG 69 2HD ARG 69 37.851 1.401 5.255 547 HE ARG 69 HE ARG 69 38.768 -1.293 4.910 548 HH11 ARG 69 2HH1 ARG 69 39.565 2.065 4.450 549 HH12 ARG 69 1HH1 ARG 69 41.276 1.797 4.476 550 HH21 ARG 69 2HH2 ARG 69 41.019 -1.658 4.946 551 HH22 ARG 69 1HH2 ARG 69 42.102 -0.321 4.757 552 H MET 70 H MET 70 33.521 2.094 3.423 553 HA MET 70 HA MET 70 35.808 3.318 2.225 554 HB2 MET 70 1HB MET 70 32.900 3.209 1.421 555 HB3 MET 70 2HB MET 70 34.139 3.992 0.449 556 HG2 MET 70 1HG MET 70 35.321 1.884 0.220 557 HG3 MET 70 2HG MET 70 34.125 1.089 1.241 558 HE1 MET 70 3HE MET 70 31.594 0.994 0.665 559 HE2 MET 70 1HE MET 70 31.387 2.627 0.031 560 HE3 MET 70 2HE MET 70 30.909 1.236 -0.942 561 HA PRO 71 HA PRO 71 35.424 7.480 3.563 562 HB2 PRO 71 1HB PRO 71 36.226 8.833 1.351 563 HB3 PRO 71 2HB PRO 71 37.340 7.918 2.373 564 HG2 PRO 71 1HG PRO 71 36.067 7.130 -0.219 565 HG3 PRO 71 2HG PRO 71 37.739 6.896 0.323 566 HD2 PRO 71 1HD PRO 71 35.893 4.917 0.399 567 HD3 PRO 71 2HD PRO 71 37.202 5.047 1.591 568 H ILE 72 H ILE 72 34.295 9.503 3.214 569 HA ILE 72 HA ILE 72 31.625 9.202 2.482 570 HB ILE 72 HB ILE 72 33.159 11.802 2.566 571 HG12 ILE 72 1HG1 ILE 72 33.491 10.559 4.638 572 HG13 ILE 72 2HG1 ILE 72 32.418 11.925 4.922 573 HG21 ILE 72 1HG2 ILE 72 30.476 11.980 3.510 574 HG22 ILE 72 2HG2 ILE 72 31.224 12.796 2.138 575 HG23 ILE 72 3HG2 ILE 72 30.473 11.215 1.921 576 HD11 ILE 72 3HD1 ILE 72 31.912 9.045 5.127 577 HD12 ILE 72 1HD1 ILE 72 31.186 10.396 5.996 578 HD13 ILE 72 2HD1 ILE 72 30.623 9.986 4.375 579 H ALA 73 H ALA 73 34.403 10.159 0.595 580 HA ALA 73 HA ALA 73 33.041 11.292 -1.602 581 HB1 ALA 73 1HB ALA 73 35.305 11.791 -1.524 582 HB2 ALA 73 2HB ALA 73 35.768 10.114 -1.235 583 HB3 ALA 73 3HB ALA 73 35.206 10.611 -2.831 584 H THR 74 H THR 74 34.234 7.997 -1.008 585 HA THR 74 HA THR 74 33.310 6.955 -3.488 586 HB THR 74 HB THR 74 33.932 5.442 -0.944 587 HG1 THR 74 HG1 THR 74 35.561 6.331 -3.096 588 HG21 THR 74 3HG2 THR 74 32.715 4.053 -2.480 589 HG22 THR 74 1HG2 THR 74 34.413 3.582 -2.542 590 HG23 THR 74 2HG2 THR 74 33.725 4.575 -3.828 591 H VAL 75 H VAL 75 32.016 6.903 -0.185 592 HA VAL 75 HA VAL 75 29.802 5.277 -0.611 593 HB VAL 75 HB VAL 75 30.009 7.644 1.256 594 HG11 VAL 75 1HG1 VAL 75 28.242 6.555 2.534 595 HG12 VAL 75 2HG1 VAL 75 27.696 6.925 0.897 596 HG13 VAL 75 3HG1 VAL 75 28.144 5.274 1.327 597 HG21 VAL 75 3HG2 VAL 75 31.415 6.424 2.468 598 HG22 VAL 75 1HG2 VAL 75 30.224 5.127 2.565 599 HG23 VAL 75 2HG2 VAL 75 31.381 5.164 1.235 600 H GLY 76 H GLY 76 30.190 8.757 -1.120 601 HA2 GLY 76 1HA GLY 76 27.537 9.433 -1.639 602 HA3 GLY 76 2HA GLY 76 28.933 10.259 -2.315 603 H ARG 77 H ARG 77 29.993 8.136 -3.833 604 HA ARG 77 HA ARG 77 28.595 8.424 -6.228 605 HB2 ARG 77 1HB ARG 77 30.743 6.571 -5.279 606 HB3 ARG 77 2HB ARG 77 29.977 6.269 -6.833 607 HG2 ARG 77 1HG ARG 77 30.881 8.127 -7.800 608 HG3 ARG 77 2HG ARG 77 30.981 9.007 -6.273 609 HD2 ARG 77 1HD ARG 77 33.187 8.319 -7.222 610 HD3 ARG 77 2HD ARG 77 32.882 7.742 -5.585 611 HE ARG 77 HE ARG 77 32.934 5.593 -6.371 612 HH11 ARG 77 2HH1 ARG 77 32.589 7.783 -9.055 613 HH12 ARG 77 1HH1 ARG 77 32.806 6.552 -10.255 614 HH21 ARG 77 2HH2 ARG 77 33.220 3.964 -7.942 615 HH22 ARG 77 1HH2 ARG 77 33.164 4.380 -9.621 616 H ASN 78 H ASN 78 28.364 5.982 -3.720 617 HA ASN 78 HA ASN 78 26.872 4.068 -5.133 618 HB2 ASN 78 1HB ASN 78 26.944 4.718 -2.180 619 HB3 ASN 78 2HB ASN 78 26.141 3.305 -2.857 620 HD21 ASN 78 2HD2 ASN 78 29.231 4.902 -2.429 621 HD22 ASN 78 1HD2 ASN 78 30.201 3.482 -2.600 622 H VAL 79 H VAL 79 25.954 7.033 -3.527 623 HA VAL 79 HA VAL 79 23.114 6.464 -3.977 624 HB VAL 79 HB VAL 79 22.658 8.436 -2.609 625 HG11 VAL 79 1HG1 VAL 79 22.717 6.578 -1.256 626 HG12 VAL 79 2HG1 VAL 79 24.429 6.277 -1.560 627 HG13 VAL 79 3HG1 VAL 79 23.940 7.591 -0.490 628 HG21 VAL 79 3HG2 VAL 79 24.738 9.660 -3.333 629 HG22 VAL 79 1HG2 VAL 79 24.356 9.764 -1.615 630 HG23 VAL 79 2HG2 VAL 79 25.628 8.675 -2.171 631 H GLY 80 H GLY 80 25.276 7.301 -5.999 632 HA2 GLY 80 1HA GLY 80 25.176 8.442 -8.001 633 HA3 GLY 80 2HA GLY 80 23.563 8.981 -7.556 634 H PHE 81 H PHE 81 25.647 9.715 -5.073 635 HA PHE 81 HA PHE 81 25.592 12.523 -5.757 636 HB2 PHE 81 1HB PHE 81 26.278 10.929 -3.327 637 HB3 PHE 81 2HB PHE 81 26.913 12.565 -3.460 638 HD1 PHE 81 HD2 PHE 81 23.631 11.186 -4.535 639 HD2 PHE 81 HD1 PHE 81 25.722 13.820 -1.926 640 HE1 PHE 81 HE2 PHE 81 21.487 12.079 -3.725 641 HE2 PHE 81 HE1 PHE 81 23.581 14.717 -1.111 642 HZ PHE 81 HZ PHE 81 21.460 13.848 -2.011 643 H ASP 82 H ASP 82 27.120 13.451 -6.931 644 HA ASP 82 HA ASP 82 29.702 12.181 -7.273 645 HB2 ASP 82 1HB ASP 82 28.263 14.461 -8.574 646 HB3 ASP 82 2HB ASP 82 30.011 14.335 -8.752 647 H ASP 83 H ASP 83 28.334 14.949 -5.643 648 HA ASP 83 HA ASP 83 30.981 15.942 -4.911 649 HB2 ASP 83 1HB ASP 83 28.193 17.032 -4.675 650 HB3 ASP 83 2HB ASP 83 29.494 17.706 -3.697 651 H GLN 84 H GLN 84 31.942 15.246 -3.130 652 HA GLN 84 HA GLN 84 30.734 13.539 -1.256 653 HB2 GLN 84 1HB GLN 84 32.796 13.882 0.077 654 HB3 GLN 84 2HB GLN 84 33.125 13.497 -1.607 655 HG2 GLN 84 1HG GLN 84 33.136 16.161 -1.772 656 HG3 GLN 84 2HG GLN 84 33.632 15.978 -0.091 657 HE21 GLN 84 2HE2 GLN 84 35.464 14.518 0.308 658 HE22 GLN 84 1HE2 GLN 84 36.737 14.461 -0.859 659 H LEU 85 H LEU 85 31.380 17.012 -1.193 660 HA LEU 85 HA LEU 85 30.547 17.415 1.490 661 HB2 LEU 85 1HB LEU 85 31.180 19.118 -0.845 662 HB3 LEU 85 2HB LEU 85 30.162 19.834 0.404 663 HG LEU 85 HG LEU 85 32.486 20.435 0.744 664 HD11 LEU 85 1HD1 LEU 85 30.851 19.814 2.660 665 HD12 LEU 85 2HD1 LEU 85 32.559 20.058 3.020 666 HD13 LEU 85 3HD1 LEU 85 31.914 18.423 2.878 667 HD21 LEU 85 3HD2 LEU 85 33.326 17.700 1.454 668 HD22 LEU 85 1HD2 LEU 85 34.231 19.008 0.690 669 HD23 LEU 85 2HD2 LEU 85 33.126 18.023 -0.269 670 H TYR 86 H TYR 86 28.884 17.363 -1.590 671 HA TYR 86 HA TYR 86 26.488 18.597 -0.839 672 HB2 TYR 86 1HB TYR 86 26.951 18.179 -3.163 673 HB3 TYR 86 2HB TYR 86 27.036 16.443 -2.886 674 HD1 TYR 86 HD2 TYR 86 24.485 18.801 -1.577 675 HD2 TYR 86 HD1 TYR 86 25.338 15.649 -4.304 676 HE1 TYR 86 HE2 TYR 86 22.088 18.606 -2.092 677 HE2 TYR 86 HE1 TYR 86 22.944 15.446 -4.829 678 HH TYR 86 HH TYR 86 20.604 17.753 -3.650 679 H PHE 87 H PHE 87 27.531 15.226 -0.605 680 HA PHE 87 HA PHE 87 25.061 14.197 0.313 681 HB2 PHE 87 1HB PHE 87 26.667 12.673 -0.599 682 HB3 PHE 87 2HB PHE 87 27.892 13.176 0.561 683 HD1 PHE 87 HD1 PHE 87 24.485 11.671 0.448 684 HD2 PHE 87 HD2 PHE 87 28.244 11.886 2.433 685 HE1 PHE 87 HE1 PHE 87 23.785 9.861 1.961 686 HE2 PHE 87 HE2 PHE 87 27.551 10.077 3.949 687 HZ PHE 87 HZ PHE 87 25.320 9.061 3.714 688 H SER 88 H SER 88 27.982 15.276 2.013 689 HA SER 88 HA SER 88 27.062 14.674 4.613 690 HB2 SER 88 1HB SER 88 28.878 16.183 5.372 691 HB3 SER 88 2HB SER 88 29.431 15.031 4.157 692 HG SER 88 HG SER 88 29.885 17.490 4.012 693 H ARG 89 H ARG 89 26.799 17.542 2.585 694 HA ARG 89 HA ARG 89 25.797 19.303 4.535 695 HB2 ARG 89 1HB ARG 89 25.657 19.208 1.540 696 HB3 ARG 89 2HB ARG 89 24.743 20.421 2.428 697 HG2 ARG 89 1HG ARG 89 26.840 21.192 3.472 698 HG3 ARG 89 2HG ARG 89 27.727 20.026 2.488 699 HD2 ARG 89 1HD ARG 89 27.929 21.874 1.165 700 HD3 ARG 89 2HD ARG 89 26.420 21.220 0.529 701 HE ARG 89 HE ARG 89 25.811 22.973 2.622 702 HH11 ARG 89 2HH1 ARG 89 27.133 23.043 -0.598 703 HH12 ARG 89 1HH1 ARG 89 26.578 24.650 -0.932 704 HH21 ARG 89 2HH2 ARG 89 25.075 25.090 2.194 705 HH22 ARG 89 1HH2 ARG 89 25.408 25.814 0.658 706 H VAL 90 H VAL 90 24.094 17.294 2.139 707 HA VAL 90 HA VAL 90 21.496 17.992 3.057 708 HB VAL 90 HB VAL 90 22.390 15.612 1.426 709 HG11 VAL 90 1HG1 VAL 90 20.304 14.980 2.226 710 HG12 VAL 90 2HG1 VAL 90 19.682 16.631 2.196 711 HG13 VAL 90 3HG1 VAL 90 19.919 15.749 0.687 712 HG21 VAL 90 3HG2 VAL 90 21.622 16.906 -0.493 713 HG22 VAL 90 1HG2 VAL 90 21.202 18.250 0.570 714 HG23 VAL 90 2HG2 VAL 90 22.888 17.770 0.378 715 H PHE 91 H PHE 91 23.572 15.156 3.573 716 HA PHE 91 HA PHE 91 21.779 13.697 5.161 717 HB2 PHE 91 1HB PHE 91 23.780 12.693 4.165 718 HB3 PHE 91 2HB PHE 91 24.804 13.682 5.202 719 HD1 PHE 91 HD2 PHE 91 24.964 13.222 7.594 720 HD2 PHE 91 HD1 PHE 91 22.664 10.750 5.003 721 HE1 PHE 91 HE2 PHE 91 24.908 11.470 9.321 722 HE2 PHE 91 HE1 PHE 91 22.602 8.995 6.726 723 HZ PHE 91 HZ PHE 91 23.726 9.353 8.888 724 H LYS 92 H LYS 92 24.066 16.237 5.948 725 HA LYS 92 HA LYS 92 24.155 15.982 8.718 726 HB2 LYS 92 1HB LYS 92 25.675 17.519 7.899 727 HB3 LYS 92 2HB LYS 92 24.503 18.261 6.818 728 HG2 LYS 92 1HG LYS 92 23.724 19.677 8.406 729 HG3 LYS 92 2HG LYS 92 24.014 18.538 9.723 730 HD2 LYS 92 1HD LYS 92 26.387 19.622 8.311 731 HD3 LYS 92 2HD LYS 92 25.497 20.726 9.362 732 HE2 LYS 92 1HE LYS 92 25.642 18.654 11.015 733 HE3 LYS 92 2HE LYS 92 27.063 18.293 10.037 734 HZ1 LYS 92 3HZ LYS 92 27.379 20.912 10.537 735 HZ2 LYS 92 1HZ LYS 92 28.082 19.673 11.451 736 HZ3 LYS 92 2HZ LYS 92 26.643 20.396 11.970 737 H LYS 93 H LYS 93 21.907 17.877 6.716 738 HA LYS 93 HA LYS 93 20.346 18.722 8.967 739 HB2 LYS 93 1HB LYS 93 20.030 18.924 5.986 740 HB3 LYS 93 2HB LYS 93 18.709 19.370 7.058 741 HG2 LYS 93 1HG LYS 93 19.720 21.395 6.767 742 HG3 LYS 93 2HG LYS 93 20.553 20.828 8.217 743 HD2 LYS 93 1HD LYS 93 22.314 21.549 6.906 744 HD3 LYS 93 2HD LYS 93 22.255 19.828 6.518 745 HE2 LYS 93 1HE LYS 93 22.497 21.058 4.475 746 HE3 LYS 93 2HE LYS 93 20.867 20.389 4.531 747 HZ1 LYS 93 3HZ LYS 93 21.291 23.101 5.554 748 HZ2 LYS 93 1HZ LYS 93 19.933 22.435 4.795 749 HZ3 LYS 93 2HZ LYS 93 21.285 22.873 3.878 750 H CYS 94 H CYS 94 20.340 16.005 6.823 751 HA CYS 94 HA CYS 94 17.696 15.163 6.980 752 HB2 CYS 94 1HB CYS 94 19.662 14.190 5.618 753 HB3 CYS 94 2HB CYS 94 20.003 13.232 7.054 754 HG CYS 94 HG CYS 94 16.872 13.147 5.744 755 H THR 95 H THR 95 20.414 14.351 9.127 756 HA THR 95 HA THR 95 18.468 13.329 11.086 757 HB THR 95 HB THR 95 20.388 12.176 12.148 758 HG1 THR 95 HG1 THR 95 21.833 13.033 9.844 759 HG21 THR 95 3HG2 THR 95 18.936 11.187 10.274 760 HG22 THR 95 1HG2 THR 95 20.461 10.383 10.640 761 HG23 THR 95 2HG2 THR 95 20.338 11.442 9.235 762 H GLY 96 H GLY 96 20.456 15.952 10.408 763 HA2 GLY 96 1HA GLY 96 20.466 17.916 11.732 764 HA3 GLY 96 2HA GLY 96 20.128 16.932 13.149 765 H ALA 97 H ALA 97 22.425 15.220 11.686 766 HA ALA 97 HA ALA 97 24.681 16.794 12.705 767 HB1 ALA 97 1HB ALA 97 24.702 13.890 13.308 768 HB2 ALA 97 2HB ALA 97 25.402 15.240 14.202 769 HB3 ALA 97 3HB ALA 97 23.669 14.924 14.296 770 H SER 98 H SER 98 26.687 16.320 11.762 771 HA SER 98 HA SER 98 26.593 15.506 9.061 772 HB2 SER 98 1HB SER 98 28.662 16.402 8.958 773 HB3 SER 98 2HB SER 98 28.378 16.907 10.624 774 HG SER 98 HG SER 98 30.038 15.702 11.058 775 HA PRO 99 HA PRO 99 27.308 11.179 9.125 776 HB2 PRO 99 1HB PRO 99 29.111 10.834 7.126 777 HB3 PRO 99 2HB PRO 99 27.419 11.250 6.831 778 HG2 PRO 99 1HG PRO 99 29.827 13.028 6.872 779 HG3 PRO 99 2HG PRO 99 28.466 13.013 5.735 780 HD2 PRO 99 1HD PRO 99 28.654 14.802 7.760 781 HD3 PRO 99 2HD PRO 99 27.096 14.193 7.164 782 H SER 100 H SER 100 30.212 13.186 9.162 783 HA SER 100 HA SER 100 32.010 11.148 9.956 784 HB2 SER 100 1HB SER 100 32.992 13.082 9.017 785 HB3 SER 100 2HB SER 100 32.104 14.158 10.096 786 HG SER 100 HG SER 100 33.451 13.673 11.720 787 H GLU 101 H GLU 101 29.901 13.327 11.714 788 HA GLU 101 HA GLU 101 31.015 12.771 14.288 789 HB2 GLU 101 1HB GLU 101 29.740 14.847 13.716 790 HB3 GLU 101 2HB GLU 101 28.278 13.873 13.635 791 HG2 GLU 101 1HG GLU 101 28.017 13.923 15.835 792 HG3 GLU 101 2HG GLU 101 29.692 13.455 16.119 793 H PHE 102 H PHE 102 28.105 11.689 12.560 794 HA PHE 102 HA PHE 102 27.098 10.023 14.576 795 HB2 PHE 102 1HB PHE 102 25.798 10.730 12.598 796 HB3 PHE 102 2HB PHE 102 26.808 9.709 11.580 797 HD1 PHE 102 HD2 PHE 102 25.286 9.042 14.910 798 HD2 PHE 102 HD1 PHE 102 25.436 8.037 10.776 799 HE1 PHE 102 HE2 PHE 102 23.775 7.145 15.320 800 HE2 PHE 102 HE1 PHE 102 23.923 6.138 11.180 801 HZ PHE 102 HZ PHE 102 23.092 5.689 13.454 802 H ARG 103 H ARG 103 29.226 9.289 11.828 803 HA ARG 103 HA ARG 103 29.473 6.533 12.332 804 HB2 ARG 103 1HB ARG 103 30.118 7.742 10.215 805 HB3 ARG 103 2HB ARG 103 31.558 8.303 11.054 806 HG2 ARG 103 1HG ARG 103 31.903 5.743 11.511 807 HG3 ARG 103 2HG ARG 103 30.859 5.577 10.098 808 HD2 ARG 103 1HD ARG 103 32.389 7.023 8.825 809 HD3 ARG 103 2HD ARG 103 33.440 7.132 10.236 810 HE ARG 103 HE ARG 103 33.097 4.435 9.683 811 HH11 ARG 103 2HH1 ARG 103 34.453 7.244 8.137 812 HH12 ARG 103 1HH1 ARG 103 35.636 6.344 7.247 813 HH21 ARG 103 2HH2 ARG 103 34.651 3.239 8.517 814 HH22 ARG 103 1HH2 ARG 103 35.747 4.066 7.463 815 H ALA 104 H ALA 104 31.271 9.321 13.516 816 HA ALA 104 HA ALA 104 33.328 7.833 14.798 817 HB1 ALA 104 1HB ALA 104 32.430 10.658 14.785 818 HB2 ALA 104 2HB ALA 104 33.420 10.124 16.144 819 HB3 ALA 104 3HB ALA 104 34.029 9.973 14.496 820 H GLY 105 H GLY 105 30.095 8.747 15.680 821 HA2 GLY 105 1HA GLY 105 28.814 7.900 17.422 822 HA3 GLY 105 2HA GLY 105 30.246 7.094 18.045 823 H CYS 106 H CYS 106 30.784 10.367 17.397 824 HA CYS 106 HA CYS 106 31.110 10.954 20.182 825 HB2 CYS 106 1HB CYS 106 32.460 11.848 18.140 826 HB3 CYS 106 2HB CYS 106 31.169 13.037 18.021 827 HG CYS 106 HG CYS 106 31.589 14.079 20.584 828 H GLU 107 H GLU 107 29.819 12.086 21.524 829 HA GLU 107 HA GLU 107 27.087 12.461 20.804 830 HB2 GLU 107 1HB GLU 107 28.599 13.342 23.269 831 HB3 GLU 107 2HB GLU 107 26.851 13.387 23.088 832 HG2 GLU 107 1HG GLU 107 26.675 11.055 23.090 833 HG3 GLU 107 2HG GLU 107 28.398 10.839 22.785 Start of MODEL 2 1 H1 MET 1 H MET 1 3.603 -0.893 -0.171 2 HA MET 1 HA MET 1 1.775 1.310 -0.844 3 HB2 MET 1 1HB MET 1 3.121 1.596 -2.964 4 HB3 MET 1 2HB MET 1 3.909 2.132 -1.486 5 HG2 MET 1 1HG MET 1 4.421 -0.647 -2.362 6 HG3 MET 1 2HG MET 1 5.132 0.651 -3.319 7 HE1 MET 1 3HE MET 1 7.552 2.266 -1.862 8 HE2 MET 1 1HE MET 1 5.861 2.729 -2.061 9 HE3 MET 1 2HE MET 1 6.603 2.767 -0.461 10 H ASP 2 H ASP 2 1.345 0.971 -3.434 11 HA ASP 2 HA ASP 2 -0.146 -1.487 -3.532 12 HB2 ASP 2 1HB ASP 2 -1.072 0.601 -4.447 13 HB3 ASP 2 2HB ASP 2 0.226 0.655 -5.637 14 H ASN 3 H ASN 3 0.092 -3.171 -5.025 15 HA ASN 3 HA ASN 3 2.663 -4.087 -5.496 16 HB2 ASN 3 1HB ASN 3 0.825 -5.629 -5.526 17 HB3 ASN 3 2HB ASN 3 0.065 -4.784 -6.871 18 HD21 ASN 3 2HD2 ASN 3 2.021 -7.329 -5.984 19 HD22 ASN 3 1HD2 ASN 3 2.663 -7.726 -7.538 20 H ARG 4 H ARG 4 0.464 -2.402 -7.714 21 HA ARG 4 HA ARG 4 2.102 -2.496 -9.988 22 HB2 ARG 4 1HB ARG 4 -0.141 -0.723 -9.098 23 HB3 ARG 4 2HB ARG 4 0.774 -0.302 -10.539 24 HG2 ARG 4 1HG ARG 4 0.175 -2.370 -11.596 25 HG3 ARG 4 2HG ARG 4 -0.599 -2.946 -10.118 26 HD2 ARG 4 1HD ARG 4 -1.478 -0.433 -11.510 27 HD3 ARG 4 2HD ARG 4 -2.111 -2.017 -11.952 28 HE ARG 4 HE ARG 4 -2.457 -1.865 -9.246 29 HH11 ARG 4 2HH1 ARG 4 -3.422 0.071 -11.974 30 HH12 ARG 4 1HH1 ARG 4 -4.880 0.633 -11.225 31 HH21 ARG 4 2HH2 ARG 4 -4.374 -1.132 -8.250 32 HH22 ARG 4 1HH2 ARG 4 -5.420 -0.051 -9.107 33 H VAL 5 H VAL 5 1.870 -0.106 -7.385 34 HA VAL 5 HA VAL 5 3.727 1.724 -8.499 35 HB VAL 5 HB VAL 5 2.914 1.346 -5.614 36 HG11 VAL 5 1HG1 VAL 5 4.434 2.876 -5.092 37 HG12 VAL 5 2HG1 VAL 5 4.943 2.971 -6.779 38 HG13 VAL 5 3HG1 VAL 5 3.650 4.015 -6.187 39 HG21 VAL 5 3HG2 VAL 5 1.219 2.907 -5.955 40 HG22 VAL 5 1HG2 VAL 5 1.927 3.488 -7.462 41 HG23 VAL 5 2HG2 VAL 5 1.147 1.906 -7.405 42 H ARG 6 H ARG 6 4.036 -1.009 -6.296 43 HA ARG 6 HA ARG 6 6.628 -0.630 -5.392 44 HB2 ARG 6 1HB ARG 6 4.714 -2.736 -5.392 45 HB3 ARG 6 2HB ARG 6 6.253 -3.412 -5.907 46 HG2 ARG 6 1HG ARG 6 7.056 -3.354 -3.842 47 HG3 ARG 6 2HG ARG 6 6.596 -1.662 -3.641 48 HD2 ARG 6 1HD ARG 6 5.326 -2.675 -2.010 49 HD3 ARG 6 2HD ARG 6 4.196 -2.646 -3.363 50 HE ARG 6 HE ARG 6 5.734 -5.057 -3.253 51 HH11 ARG 6 2HH1 ARG 6 2.934 -3.423 -1.983 52 HH12 ARG 6 1HH1 ARG 6 2.101 -4.887 -1.579 53 HH21 ARG 6 2HH2 ARG 6 4.646 -6.992 -2.726 54 HH22 ARG 6 1HH2 ARG 6 3.076 -6.917 -2.001 55 H GLU 7 H GLU 7 5.482 -1.879 -8.465 56 HA GLU 7 HA GLU 7 7.899 -2.957 -9.405 57 HB2 GLU 7 1HB GLU 7 5.401 -2.957 -10.356 58 HB3 GLU 7 2HB GLU 7 6.055 -1.658 -11.343 59 HG2 GLU 7 1HG GLU 7 6.226 -3.738 -12.528 60 HG3 GLU 7 2HG GLU 7 7.839 -3.164 -12.109 61 H ALA 8 H ALA 8 6.578 0.309 -9.525 62 HA ALA 8 HA ALA 8 8.417 1.460 -11.286 63 HB1 ALA 8 1HB ALA 8 6.487 2.704 -10.745 64 HB2 ALA 8 2HB ALA 8 6.827 2.624 -9.016 65 HB3 ALA 8 3HB ALA 8 7.845 3.605 -10.070 66 H CYS 9 H CYS 9 8.627 0.795 -7.842 67 HA CYS 9 HA CYS 9 10.879 2.329 -7.223 68 HB2 CYS 9 1HB CYS 9 9.589 1.357 -5.451 69 HB3 CYS 9 2HB CYS 9 9.872 -0.270 -6.060 70 HG CYS 9 HG CYS 9 12.813 0.928 -5.547 71 H GLN 10 H GLN 10 10.580 -0.820 -8.733 72 HA GLN 10 HA GLN 10 13.253 -1.651 -8.505 73 HB2 GLN 10 1HB GLN 10 11.137 -2.943 -9.302 74 HB3 GLN 10 2HB GLN 10 11.567 -2.328 -10.892 75 HG2 GLN 10 1HG GLN 10 12.439 -4.563 -10.561 76 HG3 GLN 10 2HG GLN 10 13.750 -3.396 -10.725 77 HE21 GLN 10 2HE2 GLN 10 15.337 -4.315 -9.586 78 HE22 GLN 10 1HE2 GLN 10 15.233 -4.755 -7.919 79 H TYR 11 H TYR 11 11.586 0.161 -11.060 80 HA TYR 11 HA TYR 11 13.871 0.397 -12.732 81 HB2 TYR 11 1HB TYR 11 11.705 0.630 -13.729 82 HB3 TYR 11 2HB TYR 11 11.270 1.929 -12.624 83 HD1 TYR 11 HD2 TYR 11 13.941 1.154 -15.128 84 HD2 TYR 11 HD1 TYR 11 11.328 4.072 -13.465 85 HE1 TYR 11 HE2 TYR 11 14.755 2.805 -16.760 86 HE2 TYR 11 HE1 TYR 11 12.134 5.730 -15.093 87 HH TYR 11 HH TYR 11 13.998 4.887 -17.805 88 H ILE 12 H ILE 12 12.297 2.635 -10.463 89 HA ILE 12 HA ILE 12 14.054 4.789 -10.826 90 HB ILE 12 HB ILE 12 12.486 4.042 -8.355 91 HG12 ILE 12 1HG1 ILE 12 11.825 5.919 -10.636 92 HG13 ILE 12 2HG1 ILE 12 11.091 4.343 -10.361 93 HG21 ILE 12 1HG2 ILE 12 14.264 5.602 -7.821 94 HG22 ILE 12 2HG2 ILE 12 13.764 6.656 -9.142 95 HG23 ILE 12 3HG2 ILE 12 12.701 6.416 -7.756 96 HD11 ILE 12 3HD1 ILE 12 10.828 6.816 -8.680 97 HD12 ILE 12 1HD1 ILE 12 9.569 5.972 -9.582 98 HD13 ILE 12 2HD1 ILE 12 10.286 5.222 -8.155 99 H SER 13 H SER 13 14.223 1.964 -8.739 100 HA SER 13 HA SER 13 16.386 2.817 -7.139 101 HB2 SER 13 1HB SER 13 15.201 0.992 -6.272 102 HB3 SER 13 2HB SER 13 15.219 0.128 -7.809 103 HG SER 13 HG SER 13 16.715 -0.823 -6.457 104 H ASP 14 H ASP 14 16.231 1.007 -10.172 105 HA ASP 14 HA ASP 14 19.001 0.450 -10.345 106 HB2 ASP 14 1HB ASP 14 17.382 -0.820 -11.644 107 HB3 ASP 14 2HB ASP 14 16.900 0.634 -12.513 108 H HIS 15 H HIS 15 17.093 3.245 -11.075 109 HA HIS 15 HA HIS 15 19.382 4.506 -12.423 110 HB2 HIS 15 1HB HIS 15 16.438 5.170 -12.409 111 HB3 HIS 15 2HB HIS 15 17.657 6.268 -13.050 112 HD1 HIS 15 HD1 HIS 15 17.473 6.150 -15.512 113 HD2 HIS 15 HD2 HIS 15 17.208 2.392 -13.761 114 HE1 HIS 15 HE1 HIS 15 17.348 4.524 -17.426 115 H LEU 16 H LEU 16 18.768 4.086 -9.446 116 HA LEU 16 HA LEU 16 18.202 6.535 -8.230 117 HB2 LEU 16 1HB LEU 16 18.347 4.255 -7.154 118 HB3 LEU 16 2HB LEU 16 20.097 4.463 -7.148 119 HG LEU 16 HG LEU 16 19.514 6.665 -5.838 120 HD11 LEU 16 1HD1 LEU 16 17.031 5.013 -5.633 121 HD12 LEU 16 2HD1 LEU 16 17.204 6.754 -5.854 122 HD13 LEU 16 3HD1 LEU 16 17.542 6.027 -4.284 123 HD21 LEU 16 3HD2 LEU 16 19.666 5.378 -3.729 124 HD22 LEU 16 1HD2 LEU 16 20.858 4.883 -4.931 125 HD23 LEU 16 2HD2 LEU 16 19.426 3.894 -4.651 126 H ALA 17 H ALA 17 21.082 5.378 -9.767 127 HA ALA 17 HA ALA 17 22.709 7.530 -8.657 128 HB1 ALA 17 1HB ALA 17 24.037 6.020 -10.707 129 HB2 ALA 17 2HB ALA 17 24.417 6.153 -8.990 130 HB3 ALA 17 3HB ALA 17 23.269 4.935 -9.547 131 H ASP 18 H ASP 18 20.856 6.797 -11.453 132 HA ASP 18 HA ASP 18 22.179 8.380 -13.368 133 HB2 ASP 18 1HB ASP 18 20.233 6.657 -13.633 134 HB3 ASP 18 2HB ASP 18 19.197 8.056 -13.366 135 H SER 19 H SER 19 21.868 10.492 -14.046 136 HA SER 19 HA SER 19 21.028 12.322 -11.977 137 HB2 SER 19 1HB SER 19 21.675 14.013 -13.886 138 HB3 SER 19 2HB SER 19 22.933 13.123 -13.028 139 HG SER 19 HG SER 19 23.436 12.747 -15.087 140 H ASN 20 H ASN 20 20.087 11.679 -15.350 141 HA ASN 20 HA ASN 20 17.839 13.452 -15.232 142 HB2 ASN 20 1HB ASN 20 19.219 12.691 -17.305 143 HB3 ASN 20 2HB ASN 20 18.154 11.288 -17.291 144 HD21 ASN 20 2HD2 ASN 20 17.886 14.814 -16.957 145 HD22 ASN 20 1HD2 ASN 20 16.528 14.979 -18.012 146 H PHE 21 H PHE 21 16.213 12.957 -13.897 147 HA PHE 21 HA PHE 21 15.149 10.210 -13.982 148 HB2 PHE 21 1HB PHE 21 16.065 10.688 -11.785 149 HB3 PHE 21 2HB PHE 21 15.139 12.182 -11.689 150 HD1 PHE 21 HD2 PHE 21 14.054 8.812 -12.815 151 HD2 PHE 21 HD1 PHE 21 13.721 11.878 -9.881 152 HE1 PHE 21 HE2 PHE 21 12.202 7.590 -11.754 153 HE2 PHE 21 HE1 PHE 21 11.868 10.660 -8.815 154 HZ PHE 21 HZ PHE 21 11.105 8.514 -9.751 155 H ASP 22 H ASP 22 13.397 10.209 -15.230 156 HA ASP 22 HA ASP 22 11.478 12.428 -14.942 157 HB2 ASP 22 1HB ASP 22 10.957 12.320 -17.206 158 HB3 ASP 22 2HB ASP 22 12.690 12.005 -17.211 159 H ILE 23 H ILE 23 9.446 11.959 -14.349 160 HA ILE 23 HA ILE 23 8.817 9.360 -13.392 161 HB ILE 23 HB ILE 23 7.903 11.444 -12.400 162 HG12 ILE 23 1HG1 ILE 23 5.502 9.914 -13.276 163 HG13 ILE 23 2HG1 ILE 23 6.781 9.020 -12.462 164 HG21 ILE 23 1HG2 ILE 23 6.500 12.868 -13.474 165 HG22 ILE 23 2HG2 ILE 23 7.374 12.261 -14.880 166 HG23 ILE 23 3HG2 ILE 23 5.792 11.597 -14.471 167 HD11 ILE 23 3HD1 ILE 23 4.948 9.859 -10.988 168 HD12 ILE 23 1HD1 ILE 23 6.574 10.344 -10.508 169 HD13 ILE 23 2HD1 ILE 23 5.514 11.494 -11.325 170 H ALA 24 H ALA 24 8.392 10.944 -16.421 171 HA ALA 24 HA ALA 24 6.172 9.597 -17.450 172 HB1 ALA 24 1HB ALA 24 6.697 11.187 -18.940 173 HB2 ALA 24 2HB ALA 24 8.414 11.134 -18.541 174 HB3 ALA 24 3HB ALA 24 7.731 9.949 -19.654 175 H SER 25 H SER 25 9.610 8.718 -17.511 176 HA SER 25 HA SER 25 9.261 6.344 -19.019 177 HB2 SER 25 1HB SER 25 11.430 7.620 -18.671 178 HB3 SER 25 2HB SER 25 11.506 6.884 -17.070 179 HG SER 25 HG SER 25 11.372 5.475 -19.533 180 H VAL 26 H VAL 26 9.069 7.092 -15.614 181 HA VAL 26 HA VAL 26 9.188 4.419 -14.655 182 HB VAL 26 HB VAL 26 7.857 6.776 -13.316 183 HG11 VAL 26 1HG1 VAL 26 7.462 4.426 -12.441 184 HG12 VAL 26 2HG1 VAL 26 9.176 4.403 -12.024 185 HG13 VAL 26 3HG1 VAL 26 8.105 5.598 -11.291 186 HG21 VAL 26 3HG2 VAL 26 10.150 6.840 -12.112 187 HG22 VAL 26 1HG2 VAL 26 10.735 5.984 -13.539 188 HG23 VAL 26 2HG2 VAL 26 10.000 7.579 -13.706 189 H ALA 27 H ALA 27 6.525 6.592 -15.506 190 HA ALA 27 HA ALA 27 4.439 4.862 -14.693 191 HB1 ALA 27 1HB ALA 27 4.602 7.457 -15.603 192 HB2 ALA 27 2HB ALA 27 3.747 6.623 -16.902 193 HB3 ALA 27 3HB ALA 27 3.117 6.569 -15.255 194 H GLN 28 H GLN 28 6.074 5.368 -17.792 195 HA GLN 28 HA GLN 28 4.432 3.721 -19.358 196 HB2 GLN 28 1HB GLN 28 6.011 5.273 -20.358 197 HB3 GLN 28 2HB GLN 28 7.364 4.387 -19.666 198 HG2 GLN 28 1HG GLN 28 6.950 2.509 -21.071 199 HG3 GLN 28 2HG GLN 28 5.429 3.199 -21.635 200 HE21 GLN 28 2HE2 GLN 28 5.620 3.788 -23.667 201 HE22 GLN 28 1HE2 GLN 28 6.971 4.602 -24.372 202 H HIS 29 H HIS 29 7.217 2.999 -17.332 203 HA HIS 29 HA HIS 29 7.720 0.384 -18.164 204 HB2 HIS 29 1HB HIS 29 9.307 1.422 -16.733 205 HB3 HIS 29 2HB HIS 29 8.093 1.751 -15.501 206 HD1 HIS 29 HD1 HIS 29 8.686 -1.596 -17.164 207 HD2 HIS 29 HD2 HIS 29 9.117 0.241 -13.462 208 HE1 HIS 29 HE1 HIS 29 9.323 -3.435 -15.571 209 H VAL 30 H VAL 30 5.308 1.666 -15.961 210 HA VAL 30 HA VAL 30 4.364 -1.037 -15.345 211 HB VAL 30 HB VAL 30 2.902 0.032 -13.691 212 HG11 VAL 30 1HG1 VAL 30 5.268 -0.612 -13.167 213 HG12 VAL 30 2HG1 VAL 30 5.712 1.080 -13.402 214 HG13 VAL 30 3HG1 VAL 30 4.588 0.631 -12.118 215 HG21 VAL 30 3HG2 VAL 30 4.229 2.635 -14.428 216 HG22 VAL 30 1HG2 VAL 30 2.627 2.159 -14.992 217 HG23 VAL 30 2HG2 VAL 30 2.926 2.379 -13.268 218 H CYS 31 H CYS 31 4.024 0.507 -17.948 219 HA CYS 31 HA CYS 31 2.426 0.884 -19.529 220 HB2 CYS 31 1HB CYS 31 0.944 -1.258 -17.990 221 HB3 CYS 31 2HB CYS 31 0.651 -0.788 -19.660 222 HG CYS 31 HG CYS 31 2.063 -2.783 -20.464 223 H LEU 32 H LEU 32 2.324 2.623 -17.285 224 HA LEU 32 HA LEU 32 -0.514 3.362 -17.392 225 HB2 LEU 32 1HB LEU 32 0.584 2.272 -15.153 226 HB3 LEU 32 2HB LEU 32 0.841 3.992 -14.865 227 HG LEU 32 HG LEU 32 -1.885 3.186 -15.686 228 HD11 LEU 32 1HD1 LEU 32 -2.403 2.607 -13.292 229 HD12 LEU 32 2HD1 LEU 32 -0.666 2.431 -13.041 230 HD13 LEU 32 3HD1 LEU 32 -1.500 1.388 -14.193 231 HD21 LEU 32 3HD2 LEU 32 -1.997 5.360 -15.141 232 HD22 LEU 32 1HD2 LEU 32 -0.527 5.297 -14.169 233 HD23 LEU 32 2HD2 LEU 32 -2.062 4.767 -13.481 234 H SER 33 H SER 33 -0.871 5.654 -16.738 235 HA SER 33 HA SER 33 1.105 7.322 -18.027 236 HB2 SER 33 1HB SER 33 -1.701 7.678 -17.073 237 HB3 SER 33 2HB SER 33 -0.702 9.118 -17.269 238 HG SER 33 HG SER 33 -1.087 8.959 -19.317 239 HA PRO 34 HA PRO 34 3.121 8.980 -14.502 240 HB2 PRO 34 1HB PRO 34 3.426 11.589 -15.185 241 HB3 PRO 34 2HB PRO 34 4.349 10.284 -15.941 242 HG2 PRO 34 1HG PRO 34 1.912 11.706 -16.941 243 HG3 PRO 34 2HG PRO 34 3.375 11.235 -17.826 244 HD2 PRO 34 1HD PRO 34 1.074 9.813 -17.954 245 HD3 PRO 34 2HD PRO 34 2.674 9.054 -18.075 246 H SER 35 H SER 35 0.327 10.845 -15.626 247 HA SER 35 HA SER 35 -0.037 12.331 -13.247 248 HB2 SER 35 1HB SER 35 -1.036 13.061 -15.345 249 HB3 SER 35 2HB SER 35 -2.017 11.598 -15.417 250 HG SER 35 HG SER 35 -3.113 13.488 -14.575 251 H ARG 36 H ARG 36 -1.533 9.343 -14.448 252 HA ARG 36 HA ARG 36 -3.188 8.982 -12.156 253 HB2 ARG 36 1HB ARG 36 -2.465 7.369 -14.553 254 HB3 ARG 36 2HB ARG 36 -3.136 6.518 -13.167 255 HG2 ARG 36 1HG ARG 36 -4.494 8.926 -14.322 256 HG3 ARG 36 2HG ARG 36 -4.739 7.313 -14.994 257 HD2 ARG 36 1HD ARG 36 -5.789 6.534 -13.086 258 HD3 ARG 36 2HD ARG 36 -5.053 7.764 -12.058 259 HE ARG 36 HE ARG 36 -6.776 9.187 -12.576 260 HH11 ARG 36 2HH1 ARG 36 -6.802 6.488 -14.776 261 HH12 ARG 36 1HH1 ARG 36 -8.333 6.904 -15.473 262 HH21 ARG 36 2HH2 ARG 36 -8.792 9.745 -13.487 263 HH22 ARG 36 1HH2 ARG 36 -9.463 8.757 -14.740 264 H LEU 37 H LEU 37 -0.019 7.785 -13.135 265 HA LEU 37 HA LEU 37 0.281 5.934 -11.004 266 HB2 LEU 37 1HB LEU 37 1.627 5.636 -12.928 267 HB3 LEU 37 2HB LEU 37 2.236 7.288 -12.843 268 HG LEU 37 HG LEU 37 2.984 6.006 -10.438 269 HD11 LEU 37 1HD1 LEU 37 3.955 4.406 -12.778 270 HD12 LEU 37 2HD1 LEU 37 2.519 3.929 -11.872 271 HD13 LEU 37 3HD1 LEU 37 4.078 4.045 -11.056 272 HD21 LEU 37 3HD2 LEU 37 5.278 6.190 -11.778 273 HD22 LEU 37 1HD2 LEU 37 4.453 7.600 -11.111 274 HD23 LEU 37 2HD2 LEU 37 4.277 7.202 -12.821 275 H SER 38 H SER 38 1.357 9.280 -11.479 276 HA SER 38 HA SER 38 2.812 9.541 -9.099 277 HB2 SER 38 1HB SER 38 2.913 11.159 -10.974 278 HB3 SER 38 2HB SER 38 1.283 11.699 -10.574 279 HG SER 38 HG SER 38 2.510 13.089 -9.478 280 H HIS 39 H HIS 39 -0.609 10.080 -9.804 281 HA HIS 39 HA HIS 39 -1.359 11.207 -7.357 282 HB2 HIS 39 1HB HIS 39 -2.798 11.152 -9.375 283 HB3 HIS 39 2HB HIS 39 -3.020 9.420 -9.146 284 HD1 HIS 39 HD1 HIS 39 -4.467 12.619 -8.271 285 HD2 HIS 39 HD2 HIS 39 -4.378 8.819 -6.595 286 HE1 HIS 39 HE1 HIS 39 -6.352 12.574 -6.607 287 H LEU 40 H LEU 40 -1.362 7.806 -8.396 288 HA LEU 40 HA LEU 40 -2.264 6.811 -5.884 289 HB2 LEU 40 1HB LEU 40 -0.825 5.379 -8.112 290 HB3 LEU 40 2HB LEU 40 -1.681 4.614 -6.775 291 HG LEU 40 HG LEU 40 -2.914 6.250 -8.990 292 HD11 LEU 40 1HD1 LEU 40 -3.939 3.609 -8.752 293 HD12 LEU 40 2HD1 LEU 40 -2.181 3.522 -8.838 294 HD13 LEU 40 3HD1 LEU 40 -3.086 4.346 -10.108 295 HD21 LEU 40 3HD2 LEU 40 -4.366 6.688 -7.281 296 HD22 LEU 40 1HD2 LEU 40 -3.975 5.201 -6.417 297 HD23 LEU 40 2HD2 LEU 40 -5.016 5.146 -7.839 298 H PHE 41 H PHE 41 0.866 7.473 -7.286 299 HA PHE 41 HA PHE 41 2.499 5.979 -5.592 300 HB2 PHE 41 1HB PHE 41 2.934 7.699 -7.666 301 HB3 PHE 41 2HB PHE 41 3.533 8.643 -6.306 302 HD1 PHE 41 HD2 PHE 41 5.468 7.918 -5.044 303 HD2 PHE 41 HD1 PHE 41 4.025 5.661 -8.351 304 HE1 PHE 41 HE2 PHE 41 7.580 6.658 -5.101 305 HE2 PHE 41 HE1 PHE 41 6.134 4.396 -8.413 306 HZ PHE 41 HZ PHE 41 7.916 4.895 -6.787 307 H ARG 42 H ARG 42 1.386 9.341 -5.242 308 HA ARG 42 HA ARG 42 2.613 9.745 -2.717 309 HB2 ARG 42 1HB ARG 42 1.750 11.491 -4.417 310 HB3 ARG 42 2HB ARG 42 0.183 11.241 -3.659 311 HG2 ARG 42 1HG ARG 42 2.260 11.694 -1.697 312 HG3 ARG 42 2HG ARG 42 2.148 13.016 -2.861 313 HD2 ARG 42 1HD ARG 42 -0.383 11.953 -1.734 314 HD3 ARG 42 2HD ARG 42 0.645 12.910 -0.668 315 HE ARG 42 HE ARG 42 0.492 14.451 -2.869 316 HH11 ARG 42 2HH1 ARG 42 -1.926 12.853 -0.941 317 HH12 ARG 42 1HH1 ARG 42 -3.151 14.036 -1.261 318 HH21 ARG 42 2HH2 ARG 42 -1.112 16.015 -3.298 319 HH22 ARG 42 1HH2 ARG 42 -2.687 15.834 -2.603 320 H GLN 43 H GLN 43 -0.363 8.293 -3.719 321 HA GLN 43 HA GLN 43 -1.661 8.491 -1.164 322 HB2 GLN 43 1HB GLN 43 -2.778 8.253 -3.464 323 HB3 GLN 43 2HB GLN 43 -2.379 6.545 -3.345 324 HG2 GLN 43 1HG GLN 43 -3.828 6.195 -1.575 325 HG3 GLN 43 2HG GLN 43 -3.875 7.904 -1.146 326 HE21 GLN 43 2HE2 GLN 43 -5.439 5.409 -2.739 327 HE22 GLN 43 1HE2 GLN 43 -6.611 6.343 -3.599 328 H GLN 44 H GLN 44 0.136 6.007 -2.922 329 HA GLN 44 HA GLN 44 -0.217 4.054 -0.830 330 HB2 GLN 44 1HB GLN 44 1.488 4.067 -3.323 331 HB3 GLN 44 2HB GLN 44 1.392 2.709 -2.210 332 HG2 GLN 44 1HG GLN 44 -0.945 3.878 -3.703 333 HG3 GLN 44 2HG GLN 44 -0.040 2.448 -4.195 334 HE21 GLN 44 2HE2 GLN 44 -2.850 2.681 -3.550 335 HE22 GLN 44 1HE2 GLN 44 -3.144 1.601 -2.234 336 H LEU 45 H LEU 45 2.340 6.208 -1.956 337 HA LEU 45 HA LEU 45 4.180 5.247 0.077 338 HB2 LEU 45 1HB LEU 45 4.474 6.406 -2.431 339 HB3 LEU 45 2HB LEU 45 4.986 7.661 -1.306 340 HG LEU 45 HG LEU 45 6.108 4.895 -1.083 341 HD11 LEU 45 1HD1 LEU 45 7.956 5.603 -2.557 342 HD12 LEU 45 2HD1 LEU 45 7.034 7.045 -2.982 343 HD13 LEU 45 3HD1 LEU 45 6.419 5.449 -3.409 344 HD21 LEU 45 3HD2 LEU 45 7.797 5.899 0.123 345 HD22 LEU 45 1HD2 LEU 45 6.405 6.882 0.577 346 HD23 LEU 45 2HD2 LEU 45 7.546 7.474 -0.630 347 H GLY 46 H GLY 46 1.787 7.648 -0.262 348 HA2 GLY 46 1HA GLY 46 1.026 9.238 1.214 349 HA3 GLY 46 2HA GLY 46 2.127 8.561 2.404 350 H ILE 47 H ILE 47 3.796 9.382 -0.379 351 HA ILE 47 HA ILE 47 4.238 12.160 0.356 352 HB ILE 47 HB ILE 47 6.625 11.957 0.625 353 HG12 ILE 47 1HG1 ILE 47 6.207 8.982 0.259 354 HG13 ILE 47 2HG1 ILE 47 7.000 10.059 -0.885 355 HG21 ILE 47 1HG2 ILE 47 5.247 11.710 2.623 356 HG22 ILE 47 2HG2 ILE 47 5.183 9.967 2.372 357 HG23 ILE 47 3HG2 ILE 47 6.720 10.747 2.746 358 HD11 ILE 47 3HD1 ILE 47 8.694 8.892 0.279 359 HD12 ILE 47 1HD1 ILE 47 8.691 10.543 0.898 360 HD13 ILE 47 2HD1 ILE 47 7.957 9.246 1.842 361 H SER 48 H SER 48 5.945 13.143 -1.155 362 HA SER 48 HA SER 48 5.151 12.533 -3.846 363 HB2 SER 48 1HB SER 48 7.047 14.373 -4.234 364 HB3 SER 48 2HB SER 48 5.436 14.803 -3.660 365 HG SER 48 HG SER 48 6.562 15.693 -2.106 366 H VAL 49 H VAL 49 6.438 11.808 -5.539 367 HA VAL 49 HA VAL 49 8.223 9.753 -5.027 368 HB VAL 49 HB VAL 49 8.897 9.920 -7.398 369 HG11 VAL 49 1HG1 VAL 49 7.035 8.658 -7.429 370 HG12 VAL 49 2HG1 VAL 49 6.114 9.809 -6.458 371 HG13 VAL 49 3HG1 VAL 49 6.313 10.074 -8.191 372 HG21 VAL 49 3HG2 VAL 49 9.033 12.089 -8.068 373 HG22 VAL 49 1HG2 VAL 49 7.400 11.741 -8.636 374 HG23 VAL 49 2HG2 VAL 49 7.640 12.590 -7.109 375 H LEU 50 H LEU 50 8.855 13.172 -5.610 376 HA LEU 50 HA LEU 50 11.650 13.010 -5.862 377 HB2 LEU 50 1HB LEU 50 9.674 15.132 -5.293 378 HB3 LEU 50 2HB LEU 50 11.336 15.459 -4.808 379 HG LEU 50 HG LEU 50 12.081 15.150 -7.109 380 HD11 LEU 50 1HD1 LEU 50 10.183 15.085 -8.854 381 HD12 LEU 50 2HD1 LEU 50 9.211 14.422 -7.542 382 HD13 LEU 50 3HD1 LEU 50 10.668 13.582 -8.070 383 HD21 LEU 50 3HD2 LEU 50 10.120 16.999 -7.903 384 HD22 LEU 50 1HD2 LEU 50 11.727 17.335 -7.259 385 HD23 LEU 50 2HD2 LEU 50 10.345 17.225 -6.168 386 H SER 51 H SER 51 9.550 13.323 -3.049 387 HA SER 51 HA SER 51 11.673 13.722 -1.183 388 HB2 SER 51 1HB SER 51 9.665 14.521 -0.351 389 HB3 SER 51 2HB SER 51 8.740 13.159 -0.986 390 HG SER 51 HG SER 51 8.866 12.768 1.151 391 H TRP 52 H TRP 52 9.763 10.925 -2.210 392 HA TRP 52 HA TRP 52 10.760 9.059 -0.388 393 HB2 TRP 52 1HB TRP 52 8.835 8.523 -1.728 394 HB3 TRP 52 2HB TRP 52 9.759 8.701 -3.217 395 HD1 TRP 52 HD1 TRP 52 9.825 6.423 -0.068 396 HE1 TRP 52 HE1 TRP 52 10.527 4.063 -0.820 397 HE3 TRP 52 HE3 TRP 52 10.632 7.358 -5.029 398 HZ2 TRP 52 HZ2 TRP 52 11.318 2.770 -3.201 399 HZ3 TRP 52 HZ3 TRP 52 11.360 5.506 -6.475 400 HH2 TRP 52 HH2 TRP 52 11.696 3.260 -5.579 401 H ARG 53 H ARG 53 11.979 10.047 -3.561 402 HA ARG 53 HA ARG 53 14.042 8.164 -3.782 403 HB2 ARG 53 1HB ARG 53 13.352 9.482 -5.688 404 HB3 ARG 53 2HB ARG 53 13.829 10.970 -4.882 405 HG2 ARG 53 1HG ARG 53 16.094 10.542 -5.156 406 HG3 ARG 53 2HG ARG 53 15.833 8.818 -5.424 407 HD2 ARG 53 1HD ARG 53 15.713 9.140 -7.618 408 HD3 ARG 53 2HD ARG 53 14.408 10.306 -7.403 409 HE ARG 53 HE ARG 53 17.192 10.877 -7.876 410 HH11 ARG 53 2HH1 ARG 53 14.172 12.090 -6.640 411 HH12 ARG 53 1HH1 ARG 53 14.602 13.755 -6.858 412 HH21 ARG 53 2HH2 ARG 53 17.769 13.064 -8.167 413 HH22 ARG 53 1HH2 ARG 53 16.648 14.307 -7.727 414 H GLU 54 H GLU 54 14.061 11.457 -2.444 415 HA GLU 54 HA GLU 54 16.802 11.468 -1.753 416 HB2 GLU 54 1HB GLU 54 15.575 13.544 -1.952 417 HB3 GLU 54 2HB GLU 54 14.481 13.064 -0.662 418 HG2 GLU 54 1HG GLU 54 16.077 13.384 0.988 419 HG3 GLU 54 2HG GLU 54 17.416 13.300 -0.154 420 H ASP 55 H ASP 55 13.876 10.766 0.132 421 HA ASP 55 HA ASP 55 15.061 10.351 2.612 422 HB2 ASP 55 1HB ASP 55 12.539 10.340 1.830 423 HB3 ASP 55 2HB ASP 55 12.794 8.599 1.758 424 H GLN 56 H GLN 56 14.530 8.057 -0.039 425 HA GLN 56 HA GLN 56 15.601 5.816 1.339 426 HB2 GLN 56 1HB GLN 56 15.056 6.388 -1.566 427 HB3 GLN 56 2HB GLN 56 15.787 4.877 -1.041 428 HG2 GLN 56 1HG GLN 56 13.150 5.893 -0.017 429 HG3 GLN 56 2HG GLN 56 13.315 4.807 -1.396 430 HE21 GLN 56 2HE2 GLN 56 13.863 2.680 -1.064 431 HE22 GLN 56 1HE2 GLN 56 13.881 1.947 0.500 432 H ARG 57 H ARG 57 16.970 8.280 -0.757 433 HA ARG 57 HA ARG 57 19.461 7.068 -1.233 434 HB2 ARG 57 1HB ARG 57 18.446 9.882 -1.304 435 HB3 ARG 57 2HB ARG 57 20.175 9.588 -1.441 436 HG2 ARG 57 1HG ARG 57 19.910 8.363 -3.437 437 HG3 ARG 57 2HG ARG 57 18.163 8.242 -3.217 438 HD2 ARG 57 1HD ARG 57 18.158 9.959 -4.688 439 HD3 ARG 57 2HD ARG 57 18.425 10.909 -3.226 440 HE ARG 57 HE ARG 57 20.933 10.327 -4.012 441 HH11 ARG 57 2HH1 ARG 57 18.180 11.637 -5.694 442 HH12 ARG 57 1HH1 ARG 57 19.135 12.575 -6.795 443 HH21 ARG 57 2HH2 ARG 57 22.200 11.556 -5.456 444 HH22 ARG 57 1HH2 ARG 57 21.421 12.527 -6.659 445 H ILE 58 H ILE 58 18.408 9.328 1.294 446 HA ILE 58 HA ILE 58 20.920 9.526 2.577 447 HB ILE 58 HB ILE 58 18.164 9.939 3.744 448 HG12 ILE 58 1HG1 ILE 58 18.638 11.370 1.791 449 HG13 ILE 58 2HG1 ILE 58 18.537 12.307 3.277 450 HG21 ILE 58 1HG2 ILE 58 19.586 9.732 5.581 451 HG22 ILE 58 2HG2 ILE 58 20.917 10.547 4.761 452 HG23 ILE 58 3HG2 ILE 58 19.515 11.471 5.299 453 HD11 ILE 58 3HD1 ILE 58 20.565 13.119 2.954 454 HD12 ILE 58 1HD1 ILE 58 21.244 11.498 2.815 455 HD13 ILE 58 2HD1 ILE 58 20.594 12.307 1.389 456 H SER 59 H SER 59 18.095 7.463 3.158 457 HA SER 59 HA SER 59 19.148 6.177 5.452 458 HB2 SER 59 1HB SER 59 16.714 6.247 4.750 459 HB3 SER 59 2HB SER 59 17.108 5.022 3.543 460 HG SER 59 HG SER 59 18.047 3.904 5.534 461 H GLN 60 H GLN 60 19.449 5.611 2.021 462 HA GLN 60 HA GLN 60 20.459 2.965 2.178 463 HB2 GLN 60 1HB GLN 60 19.518 3.896 0.111 464 HB3 GLN 60 2HB GLN 60 20.840 5.052 0.024 465 HG2 GLN 60 1HG GLN 60 21.426 3.376 -1.480 466 HG3 GLN 60 2HG GLN 60 22.386 3.032 -0.041 467 HE21 GLN 60 2HE2 GLN 60 22.016 1.184 1.108 468 HE22 GLN 60 1HE2 GLN 60 20.955 -0.071 0.575 469 H ALA 61 H ALA 61 22.012 6.145 2.001 470 HA ALA 61 HA ALA 61 24.663 5.301 1.806 471 HB1 ALA 61 1HB ALA 61 23.573 7.684 1.703 472 HB2 ALA 61 2HB ALA 61 24.001 7.721 3.414 473 HB3 ALA 61 3HB ALA 61 25.255 7.483 2.197 474 H LYS 62 H LYS 62 22.653 5.871 4.668 475 HA LYS 62 HA LYS 62 24.727 5.324 6.543 476 HB2 LYS 62 1HB LYS 62 21.732 5.218 6.941 477 HB3 LYS 62 2HB LYS 62 22.945 5.302 8.212 478 HG2 LYS 62 1HG LYS 62 23.282 7.516 7.933 479 HG3 LYS 62 2HG LYS 62 23.029 7.446 6.188 480 HD2 LYS 62 1HD LYS 62 21.115 8.530 6.746 481 HD3 LYS 62 2HD LYS 62 20.545 6.879 6.997 482 HE2 LYS 62 1HE LYS 62 21.053 7.054 9.374 483 HE3 LYS 62 2HE LYS 62 21.673 8.687 9.133 484 HZ1 LYS 62 3HZ LYS 62 19.374 8.615 9.990 485 HZ2 LYS 62 1HZ LYS 62 18.880 7.862 8.558 486 HZ3 LYS 62 2HZ LYS 62 19.502 9.434 8.516 487 H LEU 63 H LEU 63 22.304 3.388 4.914 488 HA LEU 63 HA LEU 63 22.550 1.076 6.533 489 HB2 LEU 63 1HB LEU 63 20.613 1.214 5.229 490 HB3 LEU 63 2HB LEU 63 21.521 1.586 3.765 491 HG LEU 63 HG LEU 63 22.294 -0.709 3.626 492 HD11 LEU 63 1HD1 LEU 63 22.533 -1.713 5.624 493 HD12 LEU 63 2HD1 LEU 63 20.875 -2.237 5.337 494 HD13 LEU 63 3HD1 LEU 63 21.190 -0.830 6.351 495 HD21 LEU 63 3HD2 LEU 63 20.343 -1.603 2.805 496 HD22 LEU 63 1HD2 LEU 63 19.924 0.109 2.873 497 HD23 LEU 63 2HD2 LEU 63 19.368 -0.985 4.140 498 H LEU 64 H LEU 64 23.969 1.940 3.385 499 HA LEU 64 HA LEU 64 25.544 -0.414 3.183 500 HB2 LEU 64 1HB LEU 64 26.483 0.541 1.263 501 HB3 LEU 64 2HB LEU 64 24.824 1.133 1.311 502 HG LEU 64 HG LEU 64 26.007 3.188 2.520 503 HD11 LEU 64 1HD1 LEU 64 28.128 3.093 0.635 504 HD12 LEU 64 2HD1 LEU 64 28.200 1.634 1.622 505 HD13 LEU 64 3HD1 LEU 64 28.217 3.221 2.392 506 HD21 LEU 64 3HD2 LEU 64 26.047 2.796 -0.470 507 HD22 LEU 64 1HD2 LEU 64 25.986 4.330 0.398 508 HD23 LEU 64 2HD2 LEU 64 24.617 3.219 0.472 509 H LEU 65 H LEU 65 26.137 2.822 4.439 510 HA LEU 65 HA LEU 65 28.918 2.608 4.780 511 HB2 LEU 65 1HB LEU 65 26.771 4.296 5.971 512 HB3 LEU 65 2HB LEU 65 28.373 4.313 6.705 513 HG LEU 65 HG LEU 65 27.980 4.877 3.782 514 HD11 LEU 65 1HD1 LEU 65 27.349 6.591 6.099 515 HD12 LEU 65 2HD1 LEU 65 26.722 6.627 4.451 516 HD13 LEU 65 3HD1 LEU 65 28.297 7.333 4.810 517 HD21 LEU 65 3HD2 LEU 65 30.068 6.306 4.410 518 HD22 LEU 65 1HD2 LEU 65 30.231 4.567 4.168 519 HD23 LEU 65 2HD2 LEU 65 30.152 5.227 5.802 520 H SER 66 H SER 66 26.238 1.416 6.650 521 HA SER 66 HA SER 66 27.746 0.883 9.026 522 HB2 SER 66 1HB SER 66 25.186 1.189 8.788 523 HB3 SER 66 2HB SER 66 25.176 -0.506 8.298 524 HG SER 66 HG SER 66 24.871 -0.089 10.600 525 H THR 67 H THR 67 27.288 -0.709 6.023 526 HA THR 67 HA THR 67 28.423 -3.200 7.110 527 HB THR 67 HB THR 67 26.325 -3.633 6.019 528 HG1 THR 67 HG1 THR 67 27.150 -4.970 4.229 529 HG21 THR 67 3HG2 THR 67 27.483 -2.265 3.588 530 HG22 THR 67 1HG2 THR 67 26.227 -1.604 4.634 531 HG23 THR 67 2HG2 THR 67 25.910 -3.056 3.684 532 H THR 68 H THR 68 29.384 -0.446 5.663 533 HA THR 68 HA THR 68 31.645 -1.791 4.350 534 HB THR 68 HB THR 68 31.665 -0.225 2.533 535 HG1 THR 68 HG1 THR 68 29.363 0.985 3.702 536 HG21 THR 68 3HG2 THR 68 29.601 -2.071 2.949 537 HG22 THR 68 1HG2 THR 68 30.147 -1.411 1.408 538 HG23 THR 68 2HG2 THR 68 28.823 -0.637 2.279 539 H ARG 69 H ARG 69 33.536 -0.325 4.064 540 HA ARG 69 HA ARG 69 33.669 1.669 6.229 541 HB2 ARG 69 1HB ARG 69 35.983 1.016 6.625 542 HB3 ARG 69 2HB ARG 69 34.915 -0.369 6.809 543 HG2 ARG 69 1HG ARG 69 36.166 0.074 4.156 544 HG3 ARG 69 2HG ARG 69 37.184 -0.518 5.471 545 HD2 ARG 69 1HD ARG 69 34.558 -1.836 5.049 546 HD3 ARG 69 2HD ARG 69 35.833 -2.155 3.874 547 HE ARG 69 HE ARG 69 36.744 -2.467 6.559 548 HH11 ARG 69 2HH1 ARG 69 34.980 -4.026 3.995 549 HH12 ARG 69 1HH1 ARG 69 35.328 -5.629 4.553 550 HH21 ARG 69 2HH2 ARG 69 37.209 -4.572 7.305 551 HH22 ARG 69 1HH2 ARG 69 36.595 -5.938 6.437 552 H MET 70 H MET 70 33.243 1.747 3.195 553 HA MET 70 HA MET 70 35.524 2.960 2.041 554 HB2 MET 70 1HB MET 70 32.601 3.032 1.299 555 HB3 MET 70 2HB MET 70 33.851 3.807 0.336 556 HG2 MET 70 1HG MET 70 34.953 1.628 0.053 557 HG3 MET 70 2HG MET 70 33.647 0.872 0.963 558 HE1 MET 70 3HE MET 70 31.093 0.820 0.106 559 HE2 MET 70 1HE MET 70 31.155 2.576 -0.049 560 HE3 MET 70 2HE MET 70 30.570 1.593 -1.391 561 HA PRO 71 HA PRO 71 35.410 7.084 3.537 562 HB2 PRO 71 1HB PRO 71 36.233 8.474 1.355 563 HB3 PRO 71 2HB PRO 71 37.318 7.460 2.314 564 HG2 PRO 71 1HG PRO 71 35.940 6.844 -0.271 565 HG3 PRO 71 2HG PRO 71 37.609 6.496 0.218 566 HD2 PRO 71 1HD PRO 71 35.655 4.622 0.269 567 HD3 PRO 71 2HD PRO 71 36.999 4.633 1.430 568 H ILE 72 H ILE 72 34.458 9.239 3.187 569 HA ILE 72 HA ILE 72 31.731 9.089 2.522 570 HB ILE 72 HB ILE 72 33.386 11.605 2.724 571 HG12 ILE 72 1HG1 ILE 72 31.973 10.042 4.896 572 HG13 ILE 72 2HG1 ILE 72 33.716 10.198 4.705 573 HG21 ILE 72 1HG2 ILE 72 31.069 11.761 1.767 574 HG22 ILE 72 2HG2 ILE 72 30.465 11.202 3.326 575 HG23 ILE 72 3HG2 ILE 72 31.349 12.725 3.217 576 HD11 ILE 72 3HD1 ILE 72 33.474 12.641 5.048 577 HD12 ILE 72 1HD1 ILE 72 31.764 12.379 5.392 578 HD13 ILE 72 2HD1 ILE 72 32.994 11.669 6.439 579 H ALA 73 H ALA 73 34.547 10.004 0.672 580 HA ALA 73 HA ALA 73 33.244 11.339 -1.443 581 HB1 ALA 73 1HB ALA 73 35.772 11.170 -0.840 582 HB2 ALA 73 2HB ALA 73 35.736 9.757 -1.896 583 HB3 ALA 73 3HB ALA 73 35.280 11.340 -2.525 584 H THR 74 H THR 74 34.237 7.948 -1.056 585 HA THR 74 HA THR 74 33.239 7.110 -3.583 586 HB THR 74 HB THR 74 33.846 5.474 -1.112 587 HG1 THR 74 HG1 THR 74 35.394 5.911 -3.467 588 HG21 THR 74 3HG2 THR 74 34.035 3.593 -2.750 589 HG22 THR 74 1HG2 THR 74 33.326 4.652 -3.969 590 HG23 THR 74 2HG2 THR 74 32.394 4.204 -2.540 591 H VAL 75 H VAL 75 31.954 6.933 -0.278 592 HA VAL 75 HA VAL 75 29.635 5.488 -0.796 593 HB VAL 75 HB VAL 75 30.029 7.697 1.228 594 HG11 VAL 75 1HG1 VAL 75 28.179 6.621 2.445 595 HG12 VAL 75 2HG1 VAL 75 27.669 7.260 0.881 596 HG13 VAL 75 3HG1 VAL 75 27.938 5.528 1.082 597 HG21 VAL 75 3HG2 VAL 75 31.291 5.231 1.038 598 HG22 VAL 75 1HG2 VAL 75 31.199 6.262 2.466 599 HG23 VAL 75 2HG2 VAL 75 30.012 4.979 2.225 600 H GLY 76 H GLY 76 30.253 8.961 -1.074 601 HA2 GLY 76 1HA GLY 76 27.650 9.847 -1.525 602 HA3 GLY 76 2HA GLY 76 29.096 10.621 -2.155 603 H ARG 77 H ARG 77 30.038 8.650 -3.863 604 HA ARG 77 HA ARG 77 28.584 9.147 -6.189 605 HB2 ARG 77 1HB ARG 77 30.817 7.363 -5.421 606 HB3 ARG 77 2HB ARG 77 29.930 6.904 -6.869 607 HG2 ARG 77 1HG ARG 77 30.668 9.738 -6.733 608 HG3 ARG 77 2HG ARG 77 32.028 8.616 -6.815 609 HD2 ARG 77 1HD ARG 77 29.681 8.498 -8.696 610 HD3 ARG 77 2HD ARG 77 31.132 9.443 -9.029 611 HE ARG 77 HE ARG 77 31.910 6.830 -8.413 612 HH11 ARG 77 2HH1 ARG 77 30.190 8.567 -10.892 613 HH12 ARG 77 1HH1 ARG 77 30.620 7.456 -12.150 614 HH21 ARG 77 2HH2 ARG 77 32.482 5.361 -10.061 615 HH22 ARG 77 1HH2 ARG 77 31.923 5.632 -11.676 616 H ASN 78 H ASN 78 28.373 6.522 -3.875 617 HA ASN 78 HA ASN 78 26.841 4.727 -5.390 618 HB2 ASN 78 1HB ASN 78 27.688 4.998 -2.647 619 HB3 ASN 78 2HB ASN 78 26.005 4.482 -2.711 620 HD21 ASN 78 2HD2 ASN 78 29.064 3.397 -2.550 621 HD22 ASN 78 1HD2 ASN 78 28.871 1.834 -3.262 622 H VAL 79 H VAL 79 25.967 7.590 -3.586 623 HA VAL 79 HA VAL 79 23.118 7.082 -4.053 624 HB VAL 79 HB VAL 79 22.698 8.974 -2.556 625 HG11 VAL 79 1HG1 VAL 79 22.834 6.816 -1.532 626 HG12 VAL 79 2HG1 VAL 79 24.597 6.889 -1.493 627 HG13 VAL 79 3HG1 VAL 79 23.645 7.973 -0.477 628 HG21 VAL 79 3HG2 VAL 79 24.827 10.179 -3.201 629 HG22 VAL 79 1HG2 VAL 79 24.415 10.201 -1.486 630 HG23 VAL 79 2HG2 VAL 79 25.667 9.109 -2.078 631 H GLY 80 H GLY 80 25.292 8.046 -6.016 632 HA2 GLY 80 1HA GLY 80 25.122 9.284 -7.966 633 HA3 GLY 80 2HA GLY 80 23.577 9.900 -7.398 634 H PHE 81 H PHE 81 25.692 10.370 -4.932 635 HA PHE 81 HA PHE 81 25.898 13.194 -5.518 636 HB2 PHE 81 1HB PHE 81 26.438 11.473 -3.128 637 HB3 PHE 81 2HB PHE 81 27.130 13.090 -3.199 638 HD1 PHE 81 HD2 PHE 81 23.818 11.745 -4.257 639 HD2 PHE 81 HD1 PHE 81 25.960 14.449 -1.764 640 HE1 PHE 81 HE2 PHE 81 21.691 12.686 -3.456 641 HE2 PHE 81 HE1 PHE 81 23.836 15.394 -0.958 642 HZ PHE 81 HZ PHE 81 21.698 14.513 -1.806 643 H ASP 82 H ASP 82 27.530 14.023 -6.624 644 HA ASP 82 HA ASP 82 29.996 12.539 -6.958 645 HB2 ASP 82 1HB ASP 82 28.868 13.735 -8.852 646 HB3 ASP 82 2HB ASP 82 29.273 15.258 -8.065 647 H ASP 83 H ASP 83 28.841 15.366 -5.264 648 HA ASP 83 HA ASP 83 31.543 16.108 -4.451 649 HB2 ASP 83 1HB ASP 83 28.842 17.397 -4.152 650 HB3 ASP 83 2HB ASP 83 30.218 17.945 -3.197 651 H GLN 84 H GLN 84 32.423 15.240 -2.704 652 HA GLN 84 HA GLN 84 31.038 13.579 -0.905 653 HB2 GLN 84 1HB GLN 84 33.425 13.329 -1.285 654 HB3 GLN 84 2HB GLN 84 33.726 14.934 -0.631 655 HG2 GLN 84 1HG GLN 84 32.753 14.101 1.540 656 HG3 GLN 84 2HG GLN 84 32.804 12.484 0.839 657 HE21 GLN 84 2HE2 GLN 84 34.222 13.632 3.144 658 HE22 GLN 84 1HE2 GLN 84 35.902 13.382 2.830 659 H LEU 85 H LEU 85 32.055 16.957 -0.691 660 HA LEU 85 HA LEU 85 31.250 17.329 2.006 661 HB2 LEU 85 1HB LEU 85 31.968 19.124 -0.264 662 HB3 LEU 85 2HB LEU 85 31.200 19.814 1.164 663 HG LEU 85 HG LEU 85 33.783 18.255 1.183 664 HD11 LEU 85 1HD1 LEU 85 34.318 20.851 1.930 665 HD12 LEU 85 2HD1 LEU 85 33.200 21.037 0.579 666 HD13 LEU 85 3HD1 LEU 85 34.691 20.119 0.369 667 HD21 LEU 85 3HD2 LEU 85 32.982 18.023 3.322 668 HD22 LEU 85 1HD2 LEU 85 32.102 19.551 3.276 669 HD23 LEU 85 2HD2 LEU 85 33.856 19.550 3.461 670 H TYR 86 H TYR 86 29.619 17.588 -1.078 671 HA TYR 86 HA TYR 86 27.370 19.056 -0.289 672 HB2 TYR 86 1HB TYR 86 27.752 18.713 -2.619 673 HB3 TYR 86 2HB TYR 86 27.744 16.963 -2.432 674 HD1 TYR 86 HD2 TYR 86 25.303 19.281 -0.900 675 HD2 TYR 86 HD1 TYR 86 26.025 16.435 -3.979 676 HE1 TYR 86 HE2 TYR 86 22.899 19.240 -1.417 677 HE2 TYR 86 HE1 TYR 86 23.623 16.387 -4.506 678 HH TYR 86 HH TYR 86 21.357 17.052 -2.825 679 H PHE 87 H PHE 87 27.894 15.540 -0.374 680 HA PHE 87 HA PHE 87 25.357 14.798 0.566 681 HB2 PHE 87 1HB PHE 87 26.756 13.138 -0.448 682 HB3 PHE 87 2HB PHE 87 28.032 13.407 0.735 683 HD1 PHE 87 HD2 PHE 87 24.437 12.420 0.604 684 HD2 PHE 87 HD1 PHE 87 28.231 11.916 2.467 685 HE1 PHE 87 HE2 PHE 87 23.506 10.628 2.009 686 HE2 PHE 87 HE1 PHE 87 27.306 10.123 3.874 687 HZ PHE 87 HZ PHE 87 24.940 9.477 3.647 688 H SER 88 H SER 88 28.399 15.359 2.307 689 HA SER 88 HA SER 88 27.398 14.744 4.873 690 HB2 SER 88 1HB SER 88 29.618 16.721 4.432 691 HB3 SER 88 2HB SER 88 29.445 15.515 5.706 692 HG SER 88 HG SER 88 30.943 14.731 4.283 693 H ARG 89 H ARG 89 27.505 17.717 2.997 694 HA ARG 89 HA ARG 89 26.791 19.507 5.044 695 HB2 ARG 89 1HB ARG 89 26.737 19.542 2.071 696 HB3 ARG 89 2HB ARG 89 25.762 20.743 2.908 697 HG2 ARG 89 1HG ARG 89 27.633 21.726 3.914 698 HG3 ARG 89 2HG ARG 89 28.661 20.338 3.553 699 HD2 ARG 89 1HD ARG 89 29.312 21.939 1.987 700 HD3 ARG 89 2HD ARG 89 28.211 20.893 1.091 701 HE ARG 89 HE ARG 89 26.824 22.681 0.817 702 HH11 ARG 89 2HH1 ARG 89 28.955 23.326 3.493 703 HH12 ARG 89 1HH1 ARG 89 28.402 24.954 3.710 704 HH21 ARG 89 2HH2 ARG 89 26.088 24.823 1.093 705 HH22 ARG 89 1HH2 ARG 89 26.771 25.804 2.345 706 H VAL 90 H VAL 90 24.768 17.888 2.599 707 HA VAL 90 HA VAL 90 22.318 18.865 3.673 708 HB VAL 90 HB VAL 90 22.481 18.192 1.332 709 HG11 VAL 90 1HG1 VAL 90 22.672 15.343 2.286 710 HG12 VAL 90 2HG1 VAL 90 22.775 15.941 0.629 711 HG13 VAL 90 3HG1 VAL 90 24.068 16.292 1.777 712 HG21 VAL 90 3HG2 VAL 90 20.380 17.754 2.995 713 HG22 VAL 90 1HG2 VAL 90 20.323 17.571 1.242 714 HG23 VAL 90 2HG2 VAL 90 20.579 16.160 2.268 715 H PHE 91 H PHE 91 24.139 15.861 4.022 716 HA PHE 91 HA PHE 91 22.179 14.449 5.487 717 HB2 PHE 91 1HB PHE 91 24.111 13.371 4.367 718 HB3 PHE 91 2HB PHE 91 25.184 14.102 5.556 719 HD1 PHE 91 HD1 PHE 91 21.913 12.327 5.824 720 HD2 PHE 91 HD2 PHE 91 26.011 12.492 6.962 721 HE1 PHE 91 HE1 PHE 91 21.575 10.395 7.309 722 HE2 PHE 91 HE2 PHE 91 25.680 10.559 8.448 723 HZ PHE 91 HZ PHE 91 23.460 9.507 8.623 724 H LYS 92 H LYS 92 24.750 16.652 6.423 725 HA LYS 92 HA LYS 92 24.794 16.191 9.171 726 HB2 LYS 92 1HB LYS 92 26.453 17.580 8.036 727 HB3 LYS 92 2HB LYS 92 25.223 18.784 7.676 728 HG2 LYS 92 1HG LYS 92 24.908 18.912 10.228 729 HG3 LYS 92 2HG LYS 92 26.473 18.099 10.306 730 HD2 LYS 92 1HD LYS 92 27.274 20.208 10.266 731 HD3 LYS 92 2HD LYS 92 27.029 20.050 8.525 732 HE2 LYS 92 1HE LYS 92 24.890 21.143 8.679 733 HE3 LYS 92 2HE LYS 92 24.985 21.169 10.439 734 HZ1 LYS 92 3HZ LYS 92 25.935 23.077 8.633 735 HZ2 LYS 92 1HZ LYS 92 27.279 22.402 9.407 736 HZ3 LYS 92 2HZ LYS 92 26.037 23.096 10.321 737 H LYS 93 H LYS 93 22.820 18.483 7.304 738 HA LYS 93 HA LYS 93 21.373 19.379 9.612 739 HB2 LYS 93 1HB LYS 93 21.031 19.795 6.649 740 HB3 LYS 93 2HB LYS 93 19.867 20.416 7.812 741 HG2 LYS 93 1HG LYS 93 21.291 22.008 8.602 742 HG3 LYS 93 2HG LYS 93 22.733 21.059 8.236 743 HD2 LYS 93 1HD LYS 93 22.604 22.980 6.761 744 HD3 LYS 93 2HD LYS 93 22.382 21.493 5.836 745 HE2 LYS 93 1HE LYS 93 20.122 21.883 5.509 746 HE3 LYS 93 2HE LYS 93 20.006 22.967 6.895 747 HZ1 LYS 93 3HZ LYS 93 20.171 24.617 5.441 748 HZ2 LYS 93 1HZ LYS 93 20.584 23.576 4.173 749 HZ3 LYS 93 2HZ LYS 93 21.787 24.176 5.200 750 H CYS 94 H CYS 94 21.024 16.835 7.292 751 HA CYS 94 HA CYS 94 18.277 16.351 7.450 752 HB2 CYS 94 1HB CYS 94 20.672 14.722 6.751 753 HB3 CYS 94 2HB CYS 94 19.167 13.866 7.067 754 HG CYS 94 HG CYS 94 19.501 14.173 4.298 755 H THR 95 H THR 95 20.931 14.964 9.372 756 HA THR 95 HA THR 95 18.941 13.951 11.284 757 HB THR 95 HB THR 95 20.817 12.577 12.193 758 HG1 THR 95 HG1 THR 95 22.760 12.550 11.136 759 HG21 THR 95 3HG2 THR 95 20.541 12.076 9.243 760 HG22 THR 95 1HG2 THR 95 19.187 11.848 10.349 761 HG23 THR 95 2HG2 THR 95 20.662 10.903 10.555 762 H GLY 96 H GLY 96 21.119 16.468 10.829 763 HA2 GLY 96 1HA GLY 96 21.308 18.279 12.342 764 HA3 GLY 96 2HA GLY 96 20.909 17.187 13.660 765 H ALA 97 H ALA 97 23.017 15.402 12.071 766 HA ALA 97 HA ALA 97 25.427 16.709 13.114 767 HB1 ALA 97 1HB ALA 97 25.131 13.788 13.591 768 HB2 ALA 97 2HB ALA 97 26.053 14.994 14.490 769 HB3 ALA 97 3HB ALA 97 24.301 14.908 14.671 770 H SER 98 H SER 98 27.362 16.099 12.105 771 HA SER 98 HA SER 98 27.145 15.422 9.374 772 HB2 SER 98 1HB SER 98 29.797 15.026 9.938 773 HB3 SER 98 2HB SER 98 29.071 16.592 9.574 774 HG SER 98 HG SER 98 30.257 16.681 11.507 775 HA PRO 99 HA PRO 99 27.456 11.050 9.223 776 HB2 PRO 99 1HB PRO 99 29.198 10.633 7.184 777 HB3 PRO 99 2HB PRO 99 27.550 11.219 6.934 778 HG2 PRO 99 1HG PRO 99 30.115 12.759 7.022 779 HG3 PRO 99 2HG PRO 99 28.748 12.927 5.905 780 HD2 PRO 99 1HD PRO 99 29.123 14.591 8.008 781 HD3 PRO 99 2HD PRO 99 27.509 14.160 7.408 782 H SER 100 H SER 100 30.524 12.783 9.339 783 HA SER 100 HA SER 100 32.144 10.554 9.991 784 HB2 SER 100 1HB SER 100 33.107 12.624 9.110 785 HB3 SER 100 2HB SER 100 32.582 13.499 10.548 786 HG SER 100 HG SER 100 34.029 12.348 11.767 787 H GLU 101 H GLU 101 30.250 12.805 11.900 788 HA GLU 101 HA GLU 101 31.320 11.984 14.423 789 HB2 GLU 101 1HB GLU 101 30.251 14.208 13.986 790 HB3 GLU 101 2HB GLU 101 28.700 13.387 13.879 791 HG2 GLU 101 1HG GLU 101 28.581 13.962 16.048 792 HG3 GLU 101 2HG GLU 101 29.502 12.473 16.258 793 H PHE 102 H PHE 102 28.305 11.311 12.668 794 HA PHE 102 HA PHE 102 27.121 9.649 14.573 795 HB2 PHE 102 1HB PHE 102 26.177 10.631 12.349 796 HB3 PHE 102 2HB PHE 102 26.787 9.143 11.634 797 HD1 PHE 102 HD1 PHE 102 24.503 10.481 14.219 798 HD2 PHE 102 HD2 PHE 102 25.596 7.135 11.827 799 HE1 PHE 102 HE1 PHE 102 22.457 9.311 14.926 800 HE2 PHE 102 HE2 PHE 102 23.551 5.960 12.528 801 HZ PHE 102 HZ PHE 102 21.978 7.049 14.079 802 H ARG 103 H ARG 103 29.435 8.932 12.012 803 HA ARG 103 HA ARG 103 29.351 6.129 12.186 804 HB2 ARG 103 1HB ARG 103 30.998 8.136 10.900 805 HB3 ARG 103 2HB ARG 103 31.977 6.804 11.501 806 HG2 ARG 103 1HG ARG 103 30.881 5.238 10.161 807 HG3 ARG 103 2HG ARG 103 29.517 6.317 9.861 808 HD2 ARG 103 1HD ARG 103 30.509 7.152 8.057 809 HD3 ARG 103 2HD ARG 103 31.954 7.550 8.985 810 HE ARG 103 HE ARG 103 31.586 5.308 7.239 811 HH11 ARG 103 2HH1 ARG 103 33.303 6.484 10.030 812 HH12 ARG 103 1HH1 ARG 103 34.645 5.408 9.820 813 HH21 ARG 103 2HH2 ARG 103 33.347 3.887 6.952 814 HH22 ARG 103 1HH2 ARG 103 34.670 3.932 8.068 815 H ALA 104 H ALA 104 31.190 8.544 13.971 816 HA ALA 104 HA ALA 104 32.964 6.813 15.289 817 HB1 ALA 104 1HB ALA 104 32.449 9.553 15.277 818 HB2 ALA 104 2HB ALA 104 32.215 9.046 16.950 819 HB3 ALA 104 3HB ALA 104 33.743 8.715 16.134 820 H GLY 105 H GLY 105 29.665 7.802 16.032 821 HA2 GLY 105 1HA GLY 105 28.120 6.587 17.297 822 HA3 GLY 105 2HA GLY 105 29.430 5.565 17.872 823 H CYS 106 H CYS 106 30.717 8.441 18.343 824 HA CYS 106 HA CYS 106 30.512 8.444 21.107 825 HB2 CYS 106 1HB CYS 106 31.476 10.683 21.038 826 HB3 CYS 106 2HB CYS 106 32.259 9.649 19.850 827 HG CYS 106 HG CYS 106 31.296 12.564 19.296 828 H GLU 107 H GLU 107 29.169 9.351 22.579 829 HA GLU 107 HA GLU 107 26.613 10.321 21.596 830 HB2 GLU 107 1HB GLU 107 26.643 8.635 23.373 831 HB3 GLU 107 2HB GLU 107 27.552 9.728 24.407 832 HG2 GLU 107 1HG GLU 107 25.690 11.255 24.502 833 HG3 GLU 107 2HG GLU 107 24.783 10.266 23.360 Start of MODEL 3 1 H1 MET 1 H MET 1 1.708 -0.817 1.228 2 HA MET 1 HA MET 1 1.764 0.701 -0.998 3 HB2 MET 1 1HB MET 1 3.613 -0.773 0.174 4 HB3 MET 1 2HB MET 1 3.246 -1.890 -1.134 5 HG2 MET 1 1HG MET 1 4.191 -0.580 -2.707 6 HG3 MET 1 2HG MET 1 3.712 0.915 -1.908 7 HE1 MET 1 3HE MET 1 6.249 1.440 -3.031 8 HE2 MET 1 1HE MET 1 5.738 2.429 -1.662 9 HE3 MET 1 2HE MET 1 7.380 1.789 -1.722 10 H ASP 2 H ASP 2 1.355 0.515 -3.176 11 HA ASP 2 HA ASP 2 -0.498 -1.622 -3.916 12 HB2 ASP 2 1HB ASP 2 -0.438 1.132 -4.431 13 HB3 ASP 2 2HB ASP 2 -0.066 0.367 -5.973 14 H ASN 3 H ASN 3 -0.235 -2.888 -5.773 15 HA ASN 3 HA ASN 3 2.407 -3.708 -6.323 16 HB2 ASN 3 1HB ASN 3 0.190 -5.029 -6.543 17 HB3 ASN 3 2HB ASN 3 0.086 -4.299 -8.142 18 HD21 ASN 3 2HD2 ASN 3 0.756 -5.612 -9.660 19 HD22 ASN 3 1HD2 ASN 3 2.065 -6.734 -9.540 20 H ARG 4 H ARG 4 0.275 -1.413 -7.845 21 HA ARG 4 HA ARG 4 1.683 -1.213 -10.311 22 HB2 ARG 4 1HB ARG 4 -0.292 0.587 -8.916 23 HB3 ARG 4 2HB ARG 4 0.426 1.004 -10.466 24 HG2 ARG 4 1HG ARG 4 -1.223 -1.451 -9.897 25 HG3 ARG 4 2HG ARG 4 -1.778 0.001 -10.733 26 HD2 ARG 4 1HD ARG 4 0.139 -0.420 -12.366 27 HD3 ARG 4 2HD ARG 4 0.252 -2.021 -11.636 28 HE ARG 4 HE ARG 4 -2.392 -1.315 -12.533 29 HH11 ARG 4 2HH1 ARG 4 0.667 -2.726 -13.411 30 HH12 ARG 4 1HH1 ARG 4 0.010 -3.658 -14.716 31 HH21 ARG 4 2HH2 ARG 4 -3.269 -2.537 -14.248 32 HH22 ARG 4 1HH2 ARG 4 -2.228 -3.549 -15.192 33 H VAL 5 H VAL 5 1.647 0.796 -7.373 34 HA VAL 5 HA VAL 5 3.658 2.586 -8.286 35 HB VAL 5 HB VAL 5 3.784 3.336 -5.935 36 HG11 VAL 5 1HG1 VAL 5 1.247 3.127 -7.446 37 HG12 VAL 5 2HG1 VAL 5 1.143 3.691 -5.777 38 HG13 VAL 5 3HG1 VAL 5 2.152 4.553 -6.939 39 HG21 VAL 5 3HG2 VAL 5 1.903 1.029 -5.461 40 HG22 VAL 5 1HG2 VAL 5 3.505 1.267 -4.763 41 HG23 VAL 5 2HG2 VAL 5 2.177 2.335 -4.308 42 H ARG 6 H ARG 6 3.696 -0.359 -6.350 43 HA ARG 6 HA ARG 6 6.332 -0.240 -5.430 44 HB2 ARG 6 1HB ARG 6 4.505 -1.874 -4.749 45 HB3 ARG 6 2HB ARG 6 4.902 -2.781 -6.202 46 HG2 ARG 6 1HG ARG 6 6.753 -3.654 -5.298 47 HG3 ARG 6 2HG ARG 6 7.209 -2.137 -4.520 48 HD2 ARG 6 1HD ARG 6 5.646 -2.536 -2.728 49 HD3 ARG 6 2HD ARG 6 5.032 -3.977 -3.537 50 HE ARG 6 HE ARG 6 7.351 -3.798 -1.898 51 HH11 ARG 6 2HH1 ARG 6 6.021 -5.420 -4.676 52 HH12 ARG 6 1HH1 ARG 6 6.999 -6.837 -4.480 53 HH21 ARG 6 2HH2 ARG 6 8.645 -5.657 -1.629 54 HH22 ARG 6 1HH2 ARG 6 8.491 -6.971 -2.746 55 H GLU 7 H GLU 7 5.001 -1.382 -8.486 56 HA GLU 7 HA GLU 7 7.321 -2.604 -9.494 57 HB2 GLU 7 1HB GLU 7 4.779 -2.406 -10.367 58 HB3 GLU 7 2HB GLU 7 5.542 -1.219 -11.416 59 HG2 GLU 7 1HG GLU 7 5.519 -3.303 -12.557 60 HG3 GLU 7 2HG GLU 7 7.183 -2.960 -12.089 61 H ALA 8 H ALA 8 6.113 0.717 -9.790 62 HA ALA 8 HA ALA 8 8.068 1.703 -11.524 63 HB1 ALA 8 1HB ALA 8 5.993 2.793 -9.844 64 HB2 ALA 8 2HB ALA 8 7.429 3.818 -9.827 65 HB3 ALA 8 3HB ALA 8 6.655 3.410 -11.358 66 H CYS 9 H CYS 9 8.096 1.257 -8.036 67 HA CYS 9 HA CYS 9 10.374 2.757 -7.418 68 HB2 CYS 9 1HB CYS 9 9.252 0.271 -6.113 69 HB3 CYS 9 2HB CYS 9 10.551 1.238 -5.425 70 HG CYS 9 HG CYS 9 7.975 1.688 -4.200 71 H GLN 10 H GLN 10 10.018 -0.488 -8.698 72 HA GLN 10 HA GLN 10 12.635 -1.405 -8.279 73 HB2 GLN 10 1HB GLN 10 10.478 -2.629 -9.140 74 HB3 GLN 10 2HB GLN 10 11.099 -2.187 -10.725 75 HG2 GLN 10 1HG GLN 10 12.811 -3.615 -8.727 76 HG3 GLN 10 2HG GLN 10 11.696 -4.487 -9.778 77 HE21 GLN 10 2HE2 GLN 10 14.702 -4.306 -9.564 78 HE22 GLN 10 1HE2 GLN 10 15.223 -3.988 -11.180 79 H TYR 11 H TYR 11 11.196 0.380 -10.976 80 HA TYR 11 HA TYR 11 13.533 0.367 -12.590 81 HB2 TYR 11 1HB TYR 11 11.439 0.743 -13.670 82 HB3 TYR 11 2HB TYR 11 11.054 2.089 -12.604 83 HD1 TYR 11 HD1 TYR 11 13.874 1.141 -14.879 84 HD2 TYR 11 HD2 TYR 11 11.162 4.158 -13.598 85 HE1 TYR 11 HE1 TYR 11 14.850 2.702 -16.510 86 HE2 TYR 11 HE2 TYR 11 12.130 5.728 -15.226 87 HH TYR 11 HH TYR 11 14.906 4.816 -17.230 88 H ILE 12 H ILE 12 12.140 2.735 -10.348 89 HA ILE 12 HA ILE 12 14.038 4.767 -10.766 90 HB ILE 12 HB ILE 12 12.467 4.189 -8.252 91 HG12 ILE 12 1HG1 ILE 12 11.783 6.135 -10.456 92 HG13 ILE 12 2HG1 ILE 12 11.158 4.490 -10.413 93 HG21 ILE 12 1HG2 ILE 12 14.281 5.699 -7.793 94 HG22 ILE 12 2HG2 ILE 12 13.876 6.677 -9.203 95 HG23 ILE 12 3HG2 ILE 12 12.774 6.615 -7.828 96 HD11 ILE 12 3HD1 ILE 12 9.535 6.029 -9.517 97 HD12 ILE 12 1HD1 ILE 12 10.122 4.964 -8.240 98 HD13 ILE 12 2HD1 ILE 12 10.708 6.625 -8.342 99 H SER 13 H SER 13 13.923 2.108 -8.425 100 HA SER 13 HA SER 13 16.174 2.797 -6.924 101 HB2 SER 13 1HB SER 13 14.972 0.094 -7.549 102 HB3 SER 13 2HB SER 13 16.277 0.331 -6.386 103 HG SER 13 HG SER 13 13.788 0.462 -5.835 104 H ASP 14 H ASP 14 15.887 0.898 -9.892 105 HA ASP 14 HA ASP 14 18.597 0.110 -10.038 106 HB2 ASP 14 1HB ASP 14 16.418 0.350 -12.108 107 HB3 ASP 14 2HB ASP 14 18.041 -0.200 -12.518 108 H HIS 15 H HIS 15 16.865 2.955 -11.151 109 HA HIS 15 HA HIS 15 19.292 4.005 -12.401 110 HB2 HIS 15 1HB HIS 15 16.391 4.758 -12.508 111 HB3 HIS 15 2HB HIS 15 17.620 5.933 -12.966 112 HD1 HIS 15 HD1 HIS 15 18.055 5.946 -15.389 113 HD2 HIS 15 HD2 HIS 15 16.908 2.180 -14.059 114 HE1 HIS 15 HE1 HIS 15 18.011 4.493 -17.441 115 H LEU 16 H LEU 16 18.638 3.748 -9.416 116 HA LEU 16 HA LEU 16 18.298 6.301 -8.312 117 HB2 LEU 16 1HB LEU 16 18.160 4.069 -7.140 118 HB3 LEU 16 2HB LEU 16 19.922 4.078 -7.098 119 HG LEU 16 HG LEU 16 19.688 6.305 -5.845 120 HD11 LEU 16 1HD1 LEU 16 17.206 5.596 -4.628 121 HD12 LEU 16 2HD1 LEU 16 16.967 5.788 -6.365 122 HD13 LEU 16 3HD1 LEU 16 17.666 7.103 -5.421 123 HD21 LEU 16 3HD2 LEU 16 20.064 3.787 -5.006 124 HD22 LEU 16 1HD2 LEU 16 18.568 4.161 -4.150 125 HD23 LEU 16 2HD2 LEU 16 19.995 5.170 -3.913 126 H ALA 17 H ALA 17 21.081 4.732 -9.676 127 HA ALA 17 HA ALA 17 22.928 6.707 -8.610 128 HB1 ALA 17 1HB ALA 17 24.207 5.147 -10.573 129 HB2 ALA 17 2HB ALA 17 24.356 5.023 -8.819 130 HB3 ALA 17 3HB ALA 17 23.148 4.062 -9.672 131 H ASP 18 H ASP 18 21.020 6.194 -11.418 132 HA ASP 18 HA ASP 18 22.555 7.638 -13.302 133 HB2 ASP 18 1HB ASP 18 19.722 6.728 -13.111 134 HB3 ASP 18 2HB ASP 18 20.109 7.970 -14.298 135 H SER 19 H SER 19 22.556 9.769 -13.892 136 HA SER 19 HA SER 19 21.706 11.648 -11.878 137 HB2 SER 19 1HB SER 19 23.881 11.872 -13.064 138 HB3 SER 19 2HB SER 19 23.002 12.182 -14.562 139 HG SER 19 HG SER 19 22.616 14.151 -13.921 140 H ASN 20 H ASN 20 21.014 11.156 -15.336 141 HA ASN 20 HA ASN 20 18.906 13.110 -15.330 142 HB2 ASN 20 1HB ASN 20 20.140 11.288 -17.333 143 HB3 ASN 20 2HB ASN 20 18.498 11.840 -17.648 144 HD21 ASN 20 2HD2 ASN 20 21.479 12.436 -18.514 145 HD22 ASN 20 1HD2 ASN 20 21.449 14.152 -18.709 146 H PHE 21 H PHE 21 17.101 12.674 -14.232 147 HA PHE 21 HA PHE 21 15.934 9.981 -14.479 148 HB2 PHE 21 1HB PHE 21 16.543 10.624 -12.172 149 HB3 PHE 21 2HB PHE 21 15.490 12.030 -12.297 150 HD1 PHE 21 HD2 PHE 21 14.948 8.511 -13.379 151 HD2 PHE 21 HD1 PHE 21 13.771 11.682 -10.794 152 HE1 PHE 21 HE2 PHE 21 13.054 7.157 -12.586 153 HE2 PHE 21 HE1 PHE 21 11.876 10.331 -9.996 154 HZ PHE 21 HZ PHE 21 11.514 8.066 -10.892 155 H ASP 22 H ASP 22 14.100 9.794 -15.576 156 HA ASP 22 HA ASP 22 12.501 12.224 -16.050 157 HB2 ASP 22 1HB ASP 22 13.606 11.323 -18.082 158 HB3 ASP 22 2HB ASP 22 12.752 9.801 -17.844 159 H ILE 23 H ILE 23 10.714 12.193 -14.864 160 HA ILE 23 HA ILE 23 9.617 9.996 -13.568 161 HB ILE 23 HB ILE 23 9.111 12.396 -13.065 162 HG12 ILE 23 1HG1 ILE 23 6.732 10.566 -13.453 163 HG13 ILE 23 2HG1 ILE 23 7.811 10.574 -12.062 164 HG21 ILE 23 1HG2 ILE 23 7.459 13.586 -14.296 165 HG22 ILE 23 2HG2 ILE 23 8.646 12.994 -15.456 166 HG23 ILE 23 3HG2 ILE 23 7.093 12.175 -15.288 167 HD11 ILE 23 3HD1 ILE 23 6.129 11.819 -11.212 168 HD12 ILE 23 1HD1 ILE 23 7.047 13.114 -11.982 169 HD13 ILE 23 2HD1 ILE 23 5.634 12.433 -12.789 170 H ALA 24 H ALA 24 9.246 11.056 -16.845 171 HA ALA 24 HA ALA 24 6.817 9.832 -17.510 172 HB1 ALA 24 1HB ALA 24 7.402 11.097 -19.268 173 HB2 ALA 24 2HB ALA 24 9.128 10.899 -18.965 174 HB3 ALA 24 3HB ALA 24 8.234 9.643 -19.821 175 H SER 25 H SER 25 10.125 8.568 -17.508 176 HA SER 25 HA SER 25 9.550 6.071 -18.667 177 HB2 SER 25 1HB SER 25 11.758 6.927 -16.786 178 HB3 SER 25 2HB SER 25 11.700 5.347 -17.567 179 HG SER 25 HG SER 25 11.917 6.321 -19.541 180 H VAL 26 H VAL 26 9.198 7.282 -15.422 181 HA VAL 26 HA VAL 26 8.986 4.794 -14.087 182 HB VAL 26 HB VAL 26 7.817 7.473 -13.322 183 HG11 VAL 26 1HG1 VAL 26 6.713 5.636 -12.160 184 HG12 VAL 26 2HG1 VAL 26 8.280 5.003 -11.653 185 HG13 VAL 26 3HG1 VAL 26 7.722 6.565 -11.052 186 HG21 VAL 26 3HG2 VAL 26 9.921 8.074 -12.926 187 HG22 VAL 26 1HG2 VAL 26 9.999 6.815 -11.694 188 HG23 VAL 26 2HG2 VAL 26 10.510 6.466 -13.345 189 H ALA 27 H ALA 27 6.510 7.056 -15.285 190 HA ALA 27 HA ALA 27 4.306 5.421 -14.587 191 HB1 ALA 27 1HB ALA 27 4.668 7.997 -15.591 192 HB2 ALA 27 2HB ALA 27 3.740 7.145 -16.826 193 HB3 ALA 27 3HB ALA 27 3.141 7.221 -15.169 194 H GLN 28 H GLN 28 6.156 5.829 -17.576 195 HA GLN 28 HA GLN 28 4.543 4.224 -19.223 196 HB2 GLN 28 1HB GLN 28 6.161 5.683 -20.221 197 HB3 GLN 28 2HB GLN 28 7.480 4.903 -19.357 198 HG2 GLN 28 1HG GLN 28 7.475 3.060 -20.733 199 HG3 GLN 28 2HG GLN 28 5.801 3.303 -21.228 200 HE21 GLN 28 2HE2 GLN 28 5.628 5.716 -22.200 201 HE22 GLN 28 1HE2 GLN 28 6.728 5.985 -23.504 202 H HIS 29 H HIS 29 7.200 3.446 -17.052 203 HA HIS 29 HA HIS 29 7.674 0.811 -17.839 204 HB2 HIS 29 1HB HIS 29 9.212 1.830 -16.336 205 HB3 HIS 29 2HB HIS 29 7.945 2.181 -15.165 206 HD1 HIS 29 HD1 HIS 29 8.516 -1.182 -16.793 207 HD2 HIS 29 HD2 HIS 29 8.882 0.659 -13.086 208 HE1 HIS 29 HE1 HIS 29 9.050 -3.030 -15.174 209 H VAL 30 H VAL 30 5.194 2.175 -15.764 210 HA VAL 30 HA VAL 30 4.151 -0.494 -15.166 211 HB VAL 30 HB VAL 30 2.603 0.662 -13.633 212 HG11 VAL 30 1HG1 VAL 30 4.725 1.839 -12.354 213 HG12 VAL 30 2HG1 VAL 30 4.296 0.129 -12.272 214 HG13 VAL 30 3HG1 VAL 30 5.512 0.680 -13.424 215 HG21 VAL 30 3HG2 VAL 30 2.626 2.983 -13.275 216 HG22 VAL 30 1HG2 VAL 30 4.122 3.193 -14.186 217 HG23 VAL 30 2HG2 VAL 30 2.624 2.799 -15.028 218 H CYS 31 H CYS 31 3.980 1.119 -17.788 219 HA CYS 31 HA CYS 31 2.475 1.516 -19.452 220 HB2 CYS 31 1HB CYS 31 1.251 -0.825 -18.007 221 HB3 CYS 31 2HB CYS 31 0.507 -0.147 -19.449 222 HG CYS 31 HG CYS 31 1.765 -1.938 -20.828 223 H LEU 32 H LEU 32 2.220 3.199 -17.177 224 HA LEU 32 HA LEU 32 -0.606 3.927 -17.449 225 HB2 LEU 32 1HB LEU 32 0.568 2.892 -15.103 226 HB3 LEU 32 2HB LEU 32 0.312 4.614 -14.828 227 HG LEU 32 HG LEU 32 -1.977 3.111 -15.944 228 HD11 LEU 32 1HD1 LEU 32 -1.701 1.449 -14.437 229 HD12 LEU 32 2HD1 LEU 32 -2.435 2.630 -13.352 230 HD13 LEU 32 3HD1 LEU 32 -0.683 2.426 -13.378 231 HD21 LEU 32 3HD2 LEU 32 -1.436 5.552 -14.525 232 HD22 LEU 32 1HD2 LEU 32 -2.657 4.602 -13.677 233 HD23 LEU 32 2HD2 LEU 32 -2.901 5.045 -15.366 234 H SER 33 H SER 33 -1.022 6.191 -16.744 235 HA SER 33 HA SER 33 0.942 7.926 -17.898 236 HB2 SER 33 1HB SER 33 -1.283 9.147 -16.384 237 HB3 SER 33 2HB SER 33 -0.740 9.450 -18.035 238 HG SER 33 HG SER 33 -2.738 8.461 -18.125 239 HA PRO 34 HA PRO 34 3.149 9.281 -14.357 240 HB2 PRO 34 1HB PRO 34 3.534 11.911 -14.910 241 HB3 PRO 34 2HB PRO 34 4.379 10.616 -15.766 242 HG2 PRO 34 1HG PRO 34 1.967 12.180 -16.602 243 HG3 PRO 34 2HG PRO 34 3.380 11.705 -17.562 244 HD2 PRO 34 1HD PRO 34 1.022 10.379 -17.685 245 HD3 PRO 34 2HD PRO 34 2.587 9.568 -17.903 246 H SER 35 H SER 35 0.451 11.395 -15.288 247 HA SER 35 HA SER 35 0.215 12.681 -12.774 248 HB2 SER 35 1HB SER 35 -1.765 12.336 -15.035 249 HB3 SER 35 2HB SER 35 -2.055 13.349 -13.621 250 HG SER 35 HG SER 35 -0.309 13.727 -15.763 251 H ARG 36 H ARG 36 -1.525 9.957 -14.246 252 HA ARG 36 HA ARG 36 -3.252 9.508 -12.050 253 HB2 ARG 36 1HB ARG 36 -3.212 8.605 -14.577 254 HB3 ARG 36 2HB ARG 36 -2.488 7.217 -13.776 255 HG2 ARG 36 1HG ARG 36 -5.081 8.431 -12.872 256 HG3 ARG 36 2HG ARG 36 -4.992 7.163 -14.096 257 HD2 ARG 36 1HD ARG 36 -3.659 5.828 -12.393 258 HD3 ARG 36 2HD ARG 36 -4.166 7.030 -11.208 259 HE ARG 36 HE ARG 36 -6.203 6.015 -11.145 260 HH11 ARG 36 2HH1 ARG 36 -4.636 5.163 -14.135 261 HH12 ARG 36 1HH1 ARG 36 -5.879 4.059 -14.623 262 HH21 ARG 36 2HH2 ARG 36 -7.847 4.565 -11.777 263 HH22 ARG 36 1HH2 ARG 36 -7.705 3.721 -13.282 264 H LEU 37 H LEU 37 -0.124 8.139 -12.975 265 HA LEU 37 HA LEU 37 -0.019 6.224 -10.883 266 HB2 LEU 37 1HB LEU 37 1.331 5.938 -12.846 267 HB3 LEU 37 2HB LEU 37 2.138 7.480 -12.568 268 HG LEU 37 HG LEU 37 2.930 6.347 -10.354 269 HD11 LEU 37 1HD1 LEU 37 1.758 4.117 -11.881 270 HD12 LEU 37 2HD1 LEU 37 2.013 4.300 -10.146 271 HD13 LEU 37 3HD1 LEU 37 3.354 3.826 -11.189 272 HD21 LEU 37 3HD2 LEU 37 3.996 6.602 -12.965 273 HD22 LEU 37 1HD2 LEU 37 4.503 5.037 -12.329 274 HD23 LEU 37 2HD2 LEU 37 4.862 6.512 -11.431 275 H SER 38 H SER 38 1.306 9.492 -11.252 276 HA SER 38 HA SER 38 2.736 9.597 -8.849 277 HB2 SER 38 1HB SER 38 2.627 12.044 -9.099 278 HB3 SER 38 2HB SER 38 3.003 11.264 -10.635 279 HG SER 38 HG SER 38 1.413 12.813 -10.962 280 H HIS 39 H HIS 39 -0.645 10.294 -9.569 281 HA HIS 39 HA HIS 39 -1.371 11.437 -7.121 282 HB2 HIS 39 1HB HIS 39 -2.848 11.534 -9.044 283 HB3 HIS 39 2HB HIS 39 -3.014 9.780 -9.045 284 HD1 HIS 39 HD1 HIS 39 -4.495 12.823 -7.681 285 HD2 HIS 39 HD2 HIS 39 -4.474 8.779 -6.729 286 HE1 HIS 39 HE1 HIS 39 -6.423 12.494 -6.100 287 H LEU 40 H LEU 40 -1.518 8.044 -8.180 288 HA LEU 40 HA LEU 40 -2.449 7.082 -5.663 289 HB2 LEU 40 1HB LEU 40 -1.036 5.465 -7.766 290 HB3 LEU 40 2HB LEU 40 -2.202 4.907 -6.567 291 HG LEU 40 HG LEU 40 -2.995 6.843 -8.718 292 HD11 LEU 40 1HD1 LEU 40 -3.774 4.155 -9.324 293 HD12 LEU 40 2HD1 LEU 40 -2.018 4.258 -9.203 294 HD13 LEU 40 3HD1 LEU 40 -2.888 5.313 -10.317 295 HD21 LEU 40 3HD2 LEU 40 -4.332 5.156 -6.689 296 HD22 LEU 40 1HD2 LEU 40 -5.125 5.296 -8.259 297 HD23 LEU 40 2HD2 LEU 40 -4.772 6.745 -7.317 298 H PHE 41 H PHE 41 0.695 7.571 -7.111 299 HA PHE 41 HA PHE 41 2.258 5.989 -5.423 300 HB2 PHE 41 1HB PHE 41 2.762 7.667 -7.526 301 HB3 PHE 41 2HB PHE 41 3.462 8.563 -6.182 302 HD1 PHE 41 HD1 PHE 41 5.356 7.683 -4.949 303 HD2 PHE 41 HD2 PHE 41 3.691 5.566 -8.246 304 HE1 PHE 41 HE1 PHE 41 7.366 6.268 -5.052 305 HE2 PHE 41 HE2 PHE 41 5.698 4.147 -8.352 306 HZ PHE 41 HZ PHE 41 7.538 4.496 -6.754 307 H ARG 42 H ARG 42 1.356 9.417 -5.106 308 HA ARG 42 HA ARG 42 2.650 9.784 -2.610 309 HB2 ARG 42 1HB ARG 42 1.500 11.446 -4.458 310 HB3 ARG 42 2HB ARG 42 0.328 11.503 -3.148 311 HG2 ARG 42 1HG ARG 42 2.644 11.820 -1.779 312 HG3 ARG 42 2HG ARG 42 3.038 12.607 -3.309 313 HD2 ARG 42 1HD ARG 42 0.412 13.234 -2.083 314 HD3 ARG 42 2HD ARG 42 1.849 13.888 -1.298 315 HE ARG 42 HE ARG 42 2.073 14.447 -4.007 316 HH11 ARG 42 2HH1 ARG 42 -0.037 15.253 -1.358 317 HH12 ARG 42 1HH1 ARG 42 -0.464 16.804 -1.999 318 HH21 ARG 42 2HH2 ARG 42 1.519 16.488 -4.862 319 HH22 ARG 42 1HH2 ARG 42 0.421 17.506 -3.993 320 H GLN 43 H GLN 43 -0.431 8.505 -3.537 321 HA GLN 43 HA GLN 43 -1.658 8.807 -0.957 322 HB2 GLN 43 1HB GLN 43 -2.409 7.264 -3.435 323 HB3 GLN 43 2HB GLN 43 -3.359 7.194 -1.957 324 HG2 GLN 43 1HG GLN 43 -2.705 9.826 -3.207 325 HG3 GLN 43 2HG GLN 43 -4.030 8.842 -3.827 326 HE21 GLN 43 2HE2 GLN 43 -5.386 7.909 -1.881 327 HE22 GLN 43 1HE2 GLN 43 -5.907 9.109 -0.753 328 H GLN 44 H GLN 44 -0.046 6.207 -2.725 329 HA GLN 44 HA GLN 44 -0.482 4.292 -0.613 330 HB2 GLN 44 1HB GLN 44 1.321 4.105 -3.031 331 HB3 GLN 44 2HB GLN 44 0.839 2.773 -1.989 332 HG2 GLN 44 1HG GLN 44 -1.217 4.403 -3.419 333 HG3 GLN 44 2HG GLN 44 -0.355 3.109 -4.249 334 HE21 GLN 44 2HE2 GLN 44 -3.131 3.164 -3.800 335 HE22 GLN 44 1HE2 GLN 44 -3.533 1.847 -2.758 336 H LEU 45 H LEU 45 2.182 6.279 -1.798 337 HA LEU 45 HA LEU 45 3.992 5.223 0.215 338 HB2 LEU 45 1HB LEU 45 4.314 6.344 -2.309 339 HB3 LEU 45 2HB LEU 45 4.927 7.570 -1.201 340 HG LEU 45 HG LEU 45 5.869 4.733 -0.997 341 HD11 LEU 45 1HD1 LEU 45 6.913 6.839 -2.883 342 HD12 LEU 45 2HD1 LEU 45 6.196 5.289 -3.320 343 HD13 LEU 45 3HD1 LEU 45 7.746 5.337 -2.481 344 HD21 LEU 45 3HD2 LEU 45 7.624 5.612 0.209 345 HD22 LEU 45 1HD2 LEU 45 6.306 6.685 0.677 346 HD23 LEU 45 2HD2 LEU 45 7.478 7.206 -0.533 347 H GLY 46 H GLY 46 1.746 7.763 -0.110 348 HA2 GLY 46 1HA GLY 46 1.111 9.417 1.355 349 HA3 GLY 46 2HA GLY 46 2.176 8.676 2.541 350 H ILE 47 H ILE 47 3.846 9.379 -0.284 351 HA ILE 47 HA ILE 47 4.497 12.116 0.454 352 HB ILE 47 HB ILE 47 6.861 11.756 0.673 353 HG12 ILE 47 1HG1 ILE 47 6.256 8.827 0.211 354 HG13 ILE 47 2HG1 ILE 47 7.106 9.896 -0.899 355 HG21 ILE 47 1HG2 ILE 47 5.542 11.532 2.703 356 HG22 ILE 47 2HG2 ILE 47 5.332 9.809 2.395 357 HG23 ILE 47 3HG2 ILE 47 6.935 10.453 2.749 358 HD11 ILE 47 3HD1 ILE 47 8.033 8.915 1.784 359 HD12 ILE 47 1HD1 ILE 47 8.730 8.573 0.200 360 HD13 ILE 47 2HD1 ILE 47 8.841 10.197 0.881 361 H SER 48 H SER 48 6.245 12.979 -1.098 362 HA SER 48 HA SER 48 5.321 12.470 -3.767 363 HB2 SER 48 1HB SER 48 7.265 14.168 -4.261 364 HB3 SER 48 2HB SER 48 5.793 14.722 -3.461 365 HG SER 48 HG SER 48 8.354 14.596 -2.517 366 H VAL 49 H VAL 49 6.546 11.737 -5.531 367 HA VAL 49 HA VAL 49 8.122 9.496 -5.122 368 HB VAL 49 HB VAL 49 8.250 11.287 -7.550 369 HG11 VAL 49 1HG1 VAL 49 9.987 9.607 -7.529 370 HG12 VAL 49 2HG1 VAL 49 8.805 8.346 -7.173 371 HG13 VAL 49 3HG1 VAL 49 8.766 9.179 -8.727 372 HG21 VAL 49 3HG2 VAL 49 6.172 9.392 -6.587 373 HG22 VAL 49 1HG2 VAL 49 6.001 10.900 -7.486 374 HG23 VAL 49 2HG2 VAL 49 6.522 9.433 -8.315 375 H LEU 50 H LEU 50 9.134 12.831 -5.792 376 HA LEU 50 HA LEU 50 11.891 12.355 -5.938 377 HB2 LEU 50 1HB LEU 50 10.146 14.695 -5.520 378 HB3 LEU 50 2HB LEU 50 11.806 14.864 -4.953 379 HG LEU 50 HG LEU 50 12.640 14.419 -7.192 380 HD11 LEU 50 1HD1 LEU 50 10.800 14.477 -9.032 381 HD12 LEU 50 2HD1 LEU 50 9.759 13.867 -7.746 382 HD13 LEU 50 3HD1 LEU 50 11.192 12.958 -8.226 383 HD21 LEU 50 3HD2 LEU 50 11.871 16.447 -8.277 384 HD22 LEU 50 1HD2 LEU 50 12.083 16.725 -6.548 385 HD23 LEU 50 2HD2 LEU 50 10.464 16.509 -7.213 386 H SER 51 H SER 51 9.750 12.803 -3.206 387 HA SER 51 HA SER 51 11.812 13.173 -1.267 388 HB2 SER 51 1HB SER 51 9.486 13.944 -0.909 389 HB3 SER 51 2HB SER 51 8.951 12.265 -0.864 390 HG SER 51 HG SER 51 9.302 13.126 1.233 391 H TRP 52 H TRP 52 9.835 10.403 -2.272 392 HA TRP 52 HA TRP 52 10.818 8.543 -0.432 393 HB2 TRP 52 1HB TRP 52 8.854 8.025 -1.713 394 HB3 TRP 52 2HB TRP 52 9.738 8.172 -3.229 395 HD1 TRP 52 HD1 TRP 52 9.574 5.859 -0.132 396 HE1 TRP 52 HE1 TRP 52 10.314 3.503 -0.857 397 HE3 TRP 52 HE3 TRP 52 10.915 6.879 -4.959 398 HZ2 TRP 52 HZ2 TRP 52 11.333 2.244 -3.169 399 HZ3 TRP 52 HZ3 TRP 52 11.764 5.043 -6.360 400 HH2 TRP 52 HH2 TRP 52 11.968 2.774 -5.481 401 H ARG 53 H ARG 53 11.965 9.380 -3.683 402 HA ARG 53 HA ARG 53 13.987 7.459 -3.883 403 HB2 ARG 53 1HB ARG 53 13.075 9.036 -5.687 404 HB3 ARG 53 2HB ARG 53 14.194 10.229 -5.044 405 HG2 ARG 53 1HG ARG 53 16.019 8.508 -5.422 406 HG3 ARG 53 2HG ARG 53 14.825 7.610 -6.363 407 HD2 ARG 53 1HD ARG 53 14.699 9.243 -8.002 408 HD3 ARG 53 2HD ARG 53 15.317 10.503 -6.934 409 HE ARG 53 HE ARG 53 17.243 8.451 -7.445 410 HH11 ARG 53 2HH1 ARG 53 15.811 11.361 -8.712 411 HH12 ARG 53 1HH1 ARG 53 17.188 11.772 -9.680 412 HH21 ARG 53 2HH2 ARG 53 19.062 8.983 -8.715 413 HH22 ARG 53 1HH2 ARG 53 19.036 10.419 -9.681 414 H GLU 54 H GLU 54 14.112 10.794 -2.661 415 HA GLU 54 HA GLU 54 16.870 10.773 -2.046 416 HB2 GLU 54 1HB GLU 54 15.245 12.774 -2.251 417 HB3 GLU 54 2HB GLU 54 14.848 12.439 -0.571 418 HG2 GLU 54 1HG GLU 54 17.248 12.685 -0.007 419 HG3 GLU 54 2HG GLU 54 17.552 13.157 -1.678 420 H ASP 55 H ASP 55 13.985 10.020 -0.148 421 HA ASP 55 HA ASP 55 15.177 9.738 2.357 422 HB2 ASP 55 1HB ASP 55 12.668 9.651 1.634 423 HB3 ASP 55 2HB ASP 55 12.955 7.920 1.489 424 H GLN 56 H GLN 56 14.707 7.340 -0.217 425 HA GLN 56 HA GLN 56 15.887 5.194 1.227 426 HB2 GLN 56 1HB GLN 56 15.423 5.569 -1.736 427 HB3 GLN 56 2HB GLN 56 15.958 4.066 -0.997 428 HG2 GLN 56 1HG GLN 56 13.443 5.371 -0.063 429 HG3 GLN 56 2HG GLN 56 13.451 4.423 -1.549 430 HE21 GLN 56 2HE2 GLN 56 14.606 2.242 -1.266 431 HE22 GLN 56 1HE2 GLN 56 14.166 1.345 0.144 432 H ARG 57 H ARG 57 17.110 7.594 -1.036 433 HA ARG 57 HA ARG 57 19.616 6.488 -1.561 434 HB2 ARG 57 1HB ARG 57 18.575 9.302 -1.515 435 HB3 ARG 57 2HB ARG 57 20.280 8.991 -1.809 436 HG2 ARG 57 1HG ARG 57 19.830 7.816 -3.798 437 HG3 ARG 57 2HG ARG 57 18.110 7.692 -3.424 438 HD2 ARG 57 1HD ARG 57 18.007 9.427 -4.883 439 HD3 ARG 57 2HD ARG 57 18.334 10.345 -3.413 440 HE ARG 57 HE ARG 57 20.805 9.794 -4.387 441 HH11 ARG 57 2HH1 ARG 57 17.943 11.245 -5.737 442 HH12 ARG 57 1HH1 ARG 57 18.818 12.267 -6.829 443 HH21 ARG 57 2HH2 ARG 57 21.969 11.136 -5.819 444 HH22 ARG 57 1HH2 ARG 57 21.108 12.204 -6.875 445 H ILE 58 H ILE 58 18.608 8.701 1.027 446 HA ILE 58 HA ILE 58 21.172 8.895 2.224 447 HB ILE 58 HB ILE 58 18.457 9.366 3.461 448 HG12 ILE 58 1HG1 ILE 58 18.864 10.784 1.504 449 HG13 ILE 58 2HG1 ILE 58 18.899 11.737 2.983 450 HG21 ILE 58 1HG2 ILE 58 21.102 9.373 4.582 451 HG22 ILE 58 2HG2 ILE 58 20.395 10.985 4.666 452 HG23 ILE 58 3HG2 ILE 58 19.548 9.613 5.380 453 HD11 ILE 58 3HD1 ILE 58 21.206 10.878 1.271 454 HD12 ILE 58 1HD1 ILE 58 20.676 12.514 1.661 455 HD13 ILE 58 2HD1 ILE 58 21.414 11.506 2.906 456 H SER 59 H SER 59 18.396 6.785 2.749 457 HA SER 59 HA SER 59 19.330 5.555 5.112 458 HB2 SER 59 1HB SER 59 17.530 4.095 4.896 459 HB3 SER 59 2HB SER 59 16.971 5.494 3.979 460 HG SER 59 HG SER 59 17.793 2.980 3.082 461 H GLN 60 H GLN 60 19.855 4.888 1.704 462 HA GLN 60 HA GLN 60 21.099 2.360 2.060 463 HB2 GLN 60 1HB GLN 60 20.098 3.286 -0.083 464 HB3 GLN 60 2HB GLN 60 21.558 4.254 -0.242 465 HG2 GLN 60 1HG GLN 60 21.696 2.242 -1.585 466 HG3 GLN 60 2HG GLN 60 22.907 2.229 -0.304 467 HE21 GLN 60 2HE2 GLN 60 23.075 0.437 0.833 468 HE22 GLN 60 1HE2 GLN 60 21.871 -0.792 0.978 469 H ALA 61 H ALA 61 22.305 5.670 1.852 470 HA ALA 61 HA ALA 61 25.053 5.045 1.755 471 HB1 ALA 61 1HB ALA 61 23.748 7.302 1.385 472 HB2 ALA 61 2HB ALA 61 24.133 7.540 3.090 473 HB3 ALA 61 3HB ALA 61 25.429 7.295 1.919 474 H LYS 62 H LYS 62 22.900 5.803 4.477 475 HA LYS 62 HA LYS 62 24.933 5.557 6.457 476 HB2 LYS 62 1HB LYS 62 23.090 5.630 8.068 477 HB3 LYS 62 2HB LYS 62 22.913 6.883 6.846 478 HG2 LYS 62 1HG LYS 62 21.274 5.486 5.669 479 HG3 LYS 62 2HG LYS 62 21.433 4.260 6.929 480 HD2 LYS 62 1HD LYS 62 19.466 5.627 7.328 481 HD3 LYS 62 2HD LYS 62 20.664 5.900 8.595 482 HE2 LYS 62 1HE LYS 62 21.199 8.013 7.811 483 HE3 LYS 62 2HE LYS 62 20.599 7.673 6.189 484 HZ1 LYS 62 3HZ LYS 62 19.253 8.922 8.281 485 HZ2 LYS 62 1HZ LYS 62 18.481 7.439 8.021 486 HZ3 LYS 62 2HZ LYS 62 18.655 8.536 6.746 487 H LEU 63 H LEU 63 22.642 3.350 4.992 488 HA LEU 63 HA LEU 63 22.929 1.245 6.867 489 HB2 LEU 63 1HB LEU 63 21.045 1.400 5.319 490 HB3 LEU 63 2HB LEU 63 22.138 1.151 3.959 491 HG LEU 63 HG LEU 63 22.001 -0.943 6.073 492 HD11 LEU 63 1HD1 LEU 63 20.056 -1.944 5.201 493 HD12 LEU 63 2HD1 LEU 63 19.998 -0.829 3.836 494 HD13 LEU 63 3HD1 LEU 63 19.641 -0.249 5.463 495 HD21 LEU 63 3HD2 LEU 63 21.951 -1.712 3.273 496 HD22 LEU 63 1HD2 LEU 63 23.081 -2.160 4.551 497 HD23 LEU 63 2HD2 LEU 63 23.310 -0.656 3.660 498 H LEU 64 H LEU 64 24.410 1.815 3.681 499 HA LEU 64 HA LEU 64 26.086 -0.477 3.792 500 HB2 LEU 64 1HB LEU 64 27.045 0.295 1.799 501 HB3 LEU 64 2HB LEU 64 25.358 0.802 1.733 502 HG LEU 64 HG LEU 64 26.403 3.042 2.723 503 HD11 LEU 64 1HD1 LEU 64 28.572 3.091 1.047 504 HD12 LEU 64 2HD1 LEU 64 28.688 1.494 1.787 505 HD13 LEU 64 3HD1 LEU 64 28.630 2.935 2.803 506 HD21 LEU 64 3HD2 LEU 64 26.264 3.955 0.551 507 HD22 LEU 64 1HD2 LEU 64 25.102 2.629 0.590 508 HD23 LEU 64 2HD2 LEU 64 26.660 2.412 -0.207 509 H LEU 65 H LEU 65 26.506 2.907 4.672 510 HA LEU 65 HA LEU 65 29.263 2.943 5.066 511 HB2 LEU 65 1HB LEU 65 26.962 4.497 6.104 512 HB3 LEU 65 2HB LEU 65 28.493 4.650 6.963 513 HG LEU 65 HG LEU 65 28.376 5.072 4.001 514 HD11 LEU 65 1HD1 LEU 65 26.918 6.738 4.312 515 HD12 LEU 65 2HD1 LEU 65 28.279 7.595 5.034 516 HD13 LEU 65 3HD1 LEU 65 27.135 6.732 6.062 517 HD21 LEU 65 3HD2 LEU 65 30.564 4.924 4.991 518 HD22 LEU 65 1HD2 LEU 65 30.127 6.102 6.229 519 HD23 LEU 65 2HD2 LEU 65 30.251 6.601 4.542 520 H SER 66 H SER 66 26.714 1.598 7.015 521 HA SER 66 HA SER 66 28.244 1.335 9.412 522 HB2 SER 66 1HB SER 66 25.598 0.366 8.441 523 HB3 SER 66 2HB SER 66 26.336 -0.489 9.796 524 HG SER 66 HG SER 66 24.946 1.659 9.977 525 H THR 67 H THR 67 27.934 -0.496 6.501 526 HA THR 67 HA THR 67 29.418 -2.734 7.707 527 HB THR 67 HB THR 67 27.348 -3.467 6.688 528 HG1 THR 67 HG1 THR 67 28.273 -4.946 5.161 529 HG21 THR 67 3HG2 THR 67 26.856 -1.750 5.125 530 HG22 THR 67 1HG2 THR 67 27.093 -3.220 4.180 531 HG23 THR 67 2HG2 THR 67 28.371 -2.007 4.259 532 H THR 68 H THR 68 30.057 0.022 6.170 533 HA THR 68 HA THR 68 32.393 -1.120 4.797 534 HB THR 68 HB THR 68 32.205 0.409 2.961 535 HG1 THR 68 HG1 THR 68 29.738 1.414 3.869 536 HG21 THR 68 3HG2 THR 68 30.752 -0.911 1.902 537 HG22 THR 68 1HG2 THR 68 29.400 -0.259 2.827 538 HG23 THR 68 2HG2 THR 68 30.337 -1.609 3.467 539 H ARG 69 H ARG 69 34.153 0.460 4.484 540 HA ARG 69 HA ARG 69 34.145 2.530 6.581 541 HB2 ARG 69 1HB ARG 69 35.606 0.340 6.829 542 HB3 ARG 69 2HB ARG 69 36.689 1.207 5.748 543 HG2 ARG 69 1HG ARG 69 37.492 1.778 7.831 544 HG3 ARG 69 2HG ARG 69 36.445 3.144 7.442 545 HD2 ARG 69 1HD ARG 69 35.891 2.609 9.647 546 HD3 ARG 69 2HD ARG 69 34.618 1.856 8.688 547 HE ARG 69 HE ARG 69 36.441 -0.124 8.964 548 HH11 ARG 69 2HH1 ARG 69 34.837 1.989 11.219 549 HH12 ARG 69 1HH1 ARG 69 34.862 0.839 12.514 550 HH21 ARG 69 2HH2 ARG 69 36.480 -1.646 10.662 551 HH22 ARG 69 1HH2 ARG 69 35.797 -1.228 12.197 552 H MET 70 H MET 70 33.698 2.474 3.549 553 HA MET 70 HA MET 70 35.880 3.839 2.358 554 HB2 MET 70 1HB MET 70 32.976 3.849 1.520 555 HB3 MET 70 2HB MET 70 34.349 4.295 0.517 556 HG2 MET 70 1HG MET 70 35.170 2.041 0.541 557 HG3 MET 70 2HG MET 70 33.926 1.560 1.692 558 HE1 MET 70 3HE MET 70 31.341 0.972 0.928 559 HE2 MET 70 1HE MET 70 31.405 2.735 0.948 560 HE3 MET 70 2HE MET 70 30.670 1.895 -0.418 561 HA PRO 71 HA PRO 71 35.345 7.978 3.721 562 HB2 PRO 71 1HB PRO 71 36.149 9.358 1.526 563 HB3 PRO 71 2HB PRO 71 37.270 8.477 2.571 564 HG2 PRO 71 1HG PRO 71 36.076 7.653 -0.047 565 HG3 PRO 71 2HG PRO 71 37.743 7.470 0.529 566 HD2 PRO 71 1HD PRO 71 35.957 5.435 0.566 567 HD3 PRO 71 2HD PRO 71 37.238 5.604 1.784 568 H ILE 72 H ILE 72 34.230 10.027 3.246 569 HA ILE 72 HA ILE 72 31.557 9.649 2.532 570 HB ILE 72 HB ILE 72 33.039 12.279 2.509 571 HG12 ILE 72 1HG1 ILE 72 33.433 11.145 4.624 572 HG13 ILE 72 2HG1 ILE 72 32.305 12.474 4.869 573 HG21 ILE 72 1HG2 ILE 72 30.741 12.199 1.505 574 HG22 ILE 72 2HG2 ILE 72 30.136 11.740 3.095 575 HG23 ILE 72 3HG2 ILE 72 30.921 13.302 2.869 576 HD11 ILE 72 3HD1 ILE 72 31.979 9.667 5.392 577 HD12 ILE 72 1HD1 ILE 72 30.981 11.031 5.895 578 HD13 ILE 72 2HD1 ILE 72 30.705 10.266 4.330 579 H ALA 73 H ALA 73 34.328 10.578 0.621 580 HA ALA 73 HA ALA 73 32.952 11.600 -1.623 581 HB1 ALA 73 1HB ALA 73 35.254 12.108 -1.417 582 HB2 ALA 73 2HB ALA 73 35.694 10.403 -1.315 583 HB3 ALA 73 3HB ALA 73 35.099 11.070 -2.835 584 H THR 74 H THR 74 34.219 8.359 -0.898 585 HA THR 74 HA THR 74 33.388 7.182 -3.335 586 HB THR 74 HB THR 74 33.948 5.875 -0.666 587 HG1 THR 74 HG1 THR 74 35.941 5.341 -1.978 588 HG21 THR 74 3HG2 THR 74 34.288 3.823 -2.005 589 HG22 THR 74 1HG2 THR 74 33.698 4.680 -3.428 590 HG23 THR 74 2HG2 THR 74 32.622 4.398 -2.059 591 H VAL 75 H VAL 75 31.951 7.178 -0.080 592 HA VAL 75 HA VAL 75 29.733 5.588 -0.614 593 HB VAL 75 HB VAL 75 29.774 7.949 1.268 594 HG11 VAL 75 1HG1 VAL 75 28.223 5.373 1.459 595 HG12 VAL 75 2HG1 VAL 75 28.061 6.807 2.475 596 HG13 VAL 75 3HG1 VAL 75 27.570 6.865 0.782 597 HG21 VAL 75 3HG2 VAL 75 30.240 5.522 2.637 598 HG22 VAL 75 1HG2 VAL 75 31.373 5.588 1.287 599 HG23 VAL 75 2HG2 VAL 75 31.325 6.901 2.463 600 H GLY 76 H GLY 76 30.186 9.070 -1.053 601 HA2 GLY 76 1HA GLY 76 27.565 9.790 -1.668 602 HA3 GLY 76 2HA GLY 76 28.998 10.607 -2.275 603 H ARG 77 H ARG 77 30.109 8.559 -3.811 604 HA ARG 77 HA ARG 77 28.778 8.876 -6.237 605 HB2 ARG 77 1HB ARG 77 30.893 6.978 -5.277 606 HB3 ARG 77 2HB ARG 77 30.208 6.792 -6.886 607 HG2 ARG 77 1HG ARG 77 30.965 8.955 -7.541 608 HG3 ARG 77 2HG ARG 77 31.449 9.343 -5.889 609 HD2 ARG 77 1HD ARG 77 33.161 7.629 -5.959 610 HD3 ARG 77 2HD ARG 77 32.639 7.140 -7.570 611 HE ARG 77 HE ARG 77 33.329 9.886 -7.536 612 HH11 ARG 77 2HH1 ARG 77 34.730 6.699 -7.493 613 HH12 ARG 77 1HH1 ARG 77 36.213 7.199 -8.237 614 HH21 ARG 77 2HH2 ARG 77 35.277 10.557 -8.515 615 HH22 ARG 77 1HH2 ARG 77 36.524 9.394 -8.817 616 H ASN 78 H ASN 78 28.494 6.385 -3.786 617 HA ASN 78 HA ASN 78 27.057 4.493 -5.297 618 HB2 ASN 78 1HB ASN 78 27.007 5.029 -2.319 619 HB3 ASN 78 2HB ASN 78 26.340 3.597 -3.096 620 HD21 ASN 78 2HD2 ASN 78 28.543 4.008 -1.130 621 HD22 ASN 78 1HD2 ASN 78 29.905 3.198 -1.817 622 H VAL 79 H VAL 79 26.084 7.389 -3.600 623 HA VAL 79 HA VAL 79 23.257 6.808 -4.102 624 HB VAL 79 HB VAL 79 22.768 8.745 -2.694 625 HG11 VAL 79 1HG1 VAL 79 23.550 7.851 -0.577 626 HG12 VAL 79 2HG1 VAL 79 23.083 6.537 -1.659 627 HG13 VAL 79 3HG1 VAL 79 24.789 6.911 -1.408 628 HG21 VAL 79 3HG2 VAL 79 24.444 10.068 -1.657 629 HG22 VAL 79 1HG2 VAL 79 25.730 9.001 -2.221 630 HG23 VAL 79 2HG2 VAL 79 24.846 10.002 -3.373 631 H GLY 80 H GLY 80 25.417 7.700 -6.092 632 HA2 GLY 80 1HA GLY 80 25.325 8.887 -8.067 633 HA3 GLY 80 2HA GLY 80 23.705 9.403 -7.623 634 H PHE 81 H PHE 81 25.774 10.097 -5.113 635 HA PHE 81 HA PHE 81 25.695 12.919 -5.731 636 HB2 PHE 81 1HB PHE 81 26.384 11.276 -3.336 637 HB3 PHE 81 2HB PHE 81 27.007 12.920 -3.429 638 HD1 PHE 81 HD2 PHE 81 23.741 11.558 -4.566 639 HD2 PHE 81 HD1 PHE 81 25.799 14.113 -1.854 640 HE1 PHE 81 HE2 PHE 81 21.587 12.415 -3.745 641 HE2 PHE 81 HE1 PHE 81 23.647 14.974 -1.028 642 HZ PHE 81 HZ PHE 81 21.538 14.126 -1.974 643 H ASP 82 H ASP 82 27.219 13.887 -6.879 644 HA ASP 82 HA ASP 82 29.799 12.645 -7.276 645 HB2 ASP 82 1HB ASP 82 28.439 15.081 -8.401 646 HB3 ASP 82 2HB ASP 82 30.155 14.793 -8.679 647 H ASP 83 H ASP 83 28.451 15.323 -5.485 648 HA ASP 83 HA ASP 83 31.113 16.233 -4.687 649 HB2 ASP 83 1HB ASP 83 28.361 17.388 -4.546 650 HB3 ASP 83 2HB ASP 83 29.563 17.934 -3.379 651 H GLN 84 H GLN 84 32.029 15.432 -2.928 652 HA GLN 84 HA GLN 84 30.751 13.673 -1.150 653 HB2 GLN 84 1HB GLN 84 32.796 13.859 0.207 654 HB3 GLN 84 2HB GLN 84 33.159 13.621 -1.497 655 HG2 GLN 84 1HG GLN 84 34.604 15.296 -1.168 656 HG3 GLN 84 2HG GLN 84 33.178 16.312 -1.373 657 HE21 GLN 84 2HE2 GLN 84 35.664 16.730 0.154 658 HE22 GLN 84 1HE2 GLN 84 35.161 17.064 1.773 659 H LEU 85 H LEU 85 31.464 17.124 -0.934 660 HA LEU 85 HA LEU 85 30.620 17.435 1.757 661 HB2 LEU 85 1HB LEU 85 31.226 19.249 -0.517 662 HB3 LEU 85 2HB LEU 85 30.308 19.901 0.839 663 HG LEU 85 HG LEU 85 33.046 18.645 1.032 664 HD11 LEU 85 1HD1 LEU 85 33.922 20.832 1.267 665 HD12 LEU 85 2HD1 LEU 85 32.312 21.547 1.329 666 HD13 LEU 85 3HD1 LEU 85 32.909 20.849 -0.177 667 HD21 LEU 85 3HD2 LEU 85 31.036 19.256 2.993 668 HD22 LEU 85 1HD2 LEU 85 32.473 20.245 3.257 669 HD23 LEU 85 2HD2 LEU 85 32.610 18.487 3.203 670 H TYR 86 H TYR 86 28.978 17.547 -1.334 671 HA TYR 86 HA TYR 86 26.595 18.782 -0.537 672 HB2 TYR 86 1HB TYR 86 27.057 18.484 -2.875 673 HB3 TYR 86 2HB TYR 86 27.138 16.735 -2.693 674 HD1 TYR 86 HD1 TYR 86 24.580 19.004 -1.250 675 HD2 TYR 86 HD2 TYR 86 25.448 16.040 -4.177 676 HE1 TYR 86 HE1 TYR 86 22.186 18.842 -1.787 677 HE2 TYR 86 HE2 TYR 86 23.056 15.871 -4.723 678 HH TYR 86 HH TYR 86 20.623 17.681 -2.902 679 H PHE 87 H PHE 87 27.587 15.389 -0.467 680 HA PHE 87 HA PHE 87 25.096 14.348 0.376 681 HB2 PHE 87 1HB PHE 87 26.676 12.840 -0.590 682 HB3 PHE 87 2HB PHE 87 27.913 13.284 0.582 683 HD1 PHE 87 HD2 PHE 87 24.348 12.216 0.875 684 HD2 PHE 87 HD1 PHE 87 28.406 11.517 1.952 685 HE1 PHE 87 HE2 PHE 87 23.641 10.354 2.319 686 HE2 PHE 87 HE1 PHE 87 27.705 9.653 3.397 687 HZ PHE 87 HZ PHE 87 25.320 9.071 3.583 688 H SER 88 H SER 88 27.998 15.347 2.147 689 HA SER 88 HA SER 88 27.069 14.609 4.710 690 HB2 SER 88 1HB SER 88 29.006 15.566 5.523 691 HB3 SER 88 2HB SER 88 29.467 15.319 3.839 692 HG SER 88 HG SER 88 28.919 17.673 5.213 693 H ARG 89 H ARG 89 26.783 17.564 2.818 694 HA ARG 89 HA ARG 89 25.765 19.228 4.844 695 HB2 ARG 89 1HB ARG 89 25.713 19.262 1.857 696 HB3 ARG 89 2HB ARG 89 24.660 20.367 2.731 697 HG2 ARG 89 1HG ARG 89 26.701 21.160 3.970 698 HG3 ARG 89 2HG ARG 89 27.659 20.220 2.824 699 HD2 ARG 89 1HD ARG 89 27.664 22.270 1.798 700 HD3 ARG 89 2HD ARG 89 26.248 21.534 1.048 701 HE ARG 89 HE ARG 89 25.193 22.804 3.175 702 HH11 ARG 89 2HH1 ARG 89 27.360 23.829 0.651 703 HH12 ARG 89 1HH1 ARG 89 26.818 25.474 0.674 704 HH21 ARG 89 2HH2 ARG 89 24.470 24.967 3.215 705 HH22 ARG 89 1HH2 ARG 89 25.175 26.121 2.133 706 H VAL 90 H VAL 90 24.075 17.320 2.356 707 HA VAL 90 HA VAL 90 21.474 17.946 3.325 708 HB VAL 90 HB VAL 90 22.368 15.665 1.556 709 HG11 VAL 90 1HG1 VAL 90 19.685 16.612 2.451 710 HG12 VAL 90 2HG1 VAL 90 19.869 15.937 0.831 711 HG13 VAL 90 3HG1 VAL 90 20.287 14.968 2.244 712 HG21 VAL 90 3HG2 VAL 90 22.824 17.406 0.188 713 HG22 VAL 90 1HG2 VAL 90 21.080 17.377 -0.073 714 HG23 VAL 90 2HG2 VAL 90 21.781 18.517 1.076 715 H PHE 91 H PHE 91 23.595 15.120 3.676 716 HA PHE 91 HA PHE 91 21.827 13.534 5.168 717 HB2 PHE 91 1HB PHE 91 23.943 12.745 4.082 718 HB3 PHE 91 2HB PHE 91 24.843 13.541 5.369 719 HD1 PHE 91 HD1 PHE 91 24.564 12.752 7.721 720 HD2 PHE 91 HD2 PHE 91 22.976 10.624 4.394 721 HE1 PHE 91 HE1 PHE 91 24.355 10.735 9.115 722 HE2 PHE 91 HE2 PHE 91 22.764 8.604 5.783 723 HZ PHE 91 HZ PHE 91 23.453 8.658 8.146 724 H LYS 92 H LYS 92 24.077 16.056 6.117 725 HA LYS 92 HA LYS 92 24.139 15.639 8.870 726 HB2 LYS 92 1HB LYS 92 25.637 17.219 7.853 727 HB3 LYS 92 2HB LYS 92 24.296 18.194 7.267 728 HG2 LYS 92 1HG LYS 92 23.692 18.713 9.600 729 HG3 LYS 92 2HG LYS 92 25.102 17.799 10.142 730 HD2 LYS 92 1HD LYS 92 26.237 19.716 9.996 731 HD3 LYS 92 2HD LYS 92 26.130 19.530 8.244 732 HE2 LYS 92 1HE LYS 92 23.926 20.743 8.366 733 HE3 LYS 92 2HE LYS 92 24.299 21.098 10.051 734 HZ1 LYS 92 3HZ LYS 92 25.679 22.052 7.621 735 HZ2 LYS 92 1HZ LYS 92 26.455 22.063 9.124 736 HZ3 LYS 92 2HZ LYS 92 25.037 22.956 8.899 737 H LYS 93 H LYS 93 21.847 17.506 6.913 738 HA LYS 93 HA LYS 93 20.284 18.320 9.175 739 HB2 LYS 93 1HB LYS 93 19.935 18.500 6.197 740 HB3 LYS 93 2HB LYS 93 18.613 18.914 7.279 741 HG2 LYS 93 1HG LYS 93 19.506 20.971 7.117 742 HG3 LYS 93 2HG LYS 93 20.571 20.371 8.390 743 HD2 LYS 93 1HD LYS 93 22.366 20.219 7.002 744 HD3 LYS 93 2HD LYS 93 21.379 19.822 5.593 745 HE2 LYS 93 1HE LYS 93 22.124 21.946 5.076 746 HE3 LYS 93 2HE LYS 93 20.555 22.277 5.809 747 HZ1 LYS 93 3HZ LYS 93 22.874 22.222 7.581 748 HZ2 LYS 93 1HZ LYS 93 21.497 23.203 7.631 749 HZ3 LYS 93 2HZ LYS 93 22.739 23.543 6.534 750 H CYS 94 H CYS 94 20.336 15.595 7.042 751 HA CYS 94 HA CYS 94 17.701 14.692 7.286 752 HB2 CYS 94 1HB CYS 94 19.416 13.787 5.705 753 HB3 CYS 94 2HB CYS 94 20.178 12.972 7.065 754 HG CYS 94 HG CYS 94 17.210 12.270 5.563 755 H THR 95 H THR 95 20.565 13.885 9.236 756 HA THR 95 HA THR 95 18.794 12.675 11.244 757 HB THR 95 HB THR 95 20.726 11.556 12.148 758 HG1 THR 95 HG1 THR 95 22.164 13.189 10.317 759 HG21 THR 95 3HG2 THR 95 20.785 11.388 9.132 760 HG22 THR 95 1HG2 THR 95 19.661 10.526 10.182 761 HG23 THR 95 2HG2 THR 95 21.386 10.168 10.255 762 H GLY 96 H GLY 96 20.503 15.499 10.596 763 HA2 GLY 96 1HA GLY 96 20.370 17.415 11.981 764 HA3 GLY 96 2HA GLY 96 20.158 16.363 13.373 765 H ALA 97 H ALA 97 22.550 14.864 11.893 766 HA ALA 97 HA ALA 97 24.693 16.634 12.833 767 HB1 ALA 97 1HB ALA 97 24.919 13.745 13.497 768 HB2 ALA 97 2HB ALA 97 25.591 15.152 14.321 769 HB3 ALA 97 3HB ALA 97 23.882 14.758 14.503 770 H SER 98 H SER 98 26.702 16.317 11.844 771 HA SER 98 HA SER 98 26.620 15.430 9.167 772 HB2 SER 98 1HB SER 98 28.628 16.585 10.983 773 HB3 SER 98 2HB SER 98 29.297 15.549 9.723 774 HG SER 98 HG SER 98 29.117 17.694 9.000 775 HA PRO 99 HA PRO 99 27.697 11.181 9.305 776 HB2 PRO 99 1HB PRO 99 29.487 10.942 7.278 777 HB3 PRO 99 2HB PRO 99 27.761 11.210 7.008 778 HG2 PRO 99 1HG PRO 99 30.013 13.182 6.965 779 HG3 PRO 99 2HG PRO 99 28.638 13.029 5.855 780 HD2 PRO 99 1HD PRO 99 28.712 14.871 7.839 781 HD3 PRO 99 2HD PRO 99 27.200 14.123 7.287 782 H SER 100 H SER 100 30.410 13.434 9.271 783 HA SER 100 HA SER 100 32.399 11.575 10.052 784 HB2 SER 100 1HB SER 100 33.713 13.612 10.666 785 HB3 SER 100 2HB SER 100 33.045 13.673 9.035 786 HG SER 100 HG SER 100 32.483 15.593 9.839 787 H GLU 101 H GLU 101 30.131 13.576 11.827 788 HA GLU 101 HA GLU 101 31.329 13.130 14.388 789 HB2 GLU 101 1HB GLU 101 29.881 15.094 13.819 790 HB3 GLU 101 2HB GLU 101 28.502 14.005 13.778 791 HG2 GLU 101 1HG GLU 101 28.275 14.688 15.907 792 HG3 GLU 101 2HG GLU 101 29.448 13.406 16.205 793 H PHE 102 H PHE 102 28.484 11.814 12.715 794 HA PHE 102 HA PHE 102 27.612 10.100 14.738 795 HB2 PHE 102 1HB PHE 102 26.482 10.739 12.498 796 HB3 PHE 102 2HB PHE 102 27.389 9.388 11.826 797 HD1 PHE 102 HD1 PHE 102 25.367 10.009 14.905 798 HD2 PHE 102 HD2 PHE 102 26.163 7.476 11.579 799 HE1 PHE 102 HE1 PHE 102 23.616 8.459 15.670 800 HE2 PHE 102 HE2 PHE 102 24.412 5.923 12.338 801 HZ PHE 102 HZ PHE 102 23.135 6.414 14.386 802 H ARG 103 H ARG 103 29.988 9.606 12.172 803 HA ARG 103 HA ARG 103 30.416 6.866 12.527 804 HB2 ARG 103 1HB ARG 103 31.265 8.248 10.623 805 HB3 ARG 103 2HB ARG 103 32.477 8.918 11.708 806 HG2 ARG 103 1HG ARG 103 33.345 6.623 12.071 807 HG3 ARG 103 2HG ARG 103 32.202 6.045 10.856 808 HD2 ARG 103 1HD ARG 103 33.314 7.084 9.124 809 HD3 ARG 103 2HD ARG 103 34.050 8.288 10.181 810 HE ARG 103 HE ARG 103 34.973 5.626 10.701 811 HH11 ARG 103 2HH1 ARG 103 35.394 8.434 8.687 812 HH12 ARG 103 1HH1 ARG 103 37.043 8.072 8.302 813 HH21 ARG 103 2HH2 ARG 103 37.144 5.138 10.201 814 HH22 ARG 103 1HH2 ARG 103 38.038 6.196 9.162 815 H ALA 104 H ALA 104 31.822 9.659 14.159 816 HA ALA 104 HA ALA 104 33.787 8.246 15.621 817 HB1 ALA 104 1HB ALA 104 32.497 10.930 15.924 818 HB2 ALA 104 2HB ALA 104 33.598 10.315 17.158 819 HB3 ALA 104 3HB ALA 104 34.162 10.532 15.501 820 H GLY 105 H GLY 105 30.378 8.741 16.091 821 HA2 GLY 105 1HA GLY 105 28.998 7.481 17.497 822 HA3 GLY 105 2HA GLY 105 30.427 6.889 18.331 823 H CYS 106 H CYS 106 30.461 10.245 17.935 824 HA CYS 106 HA CYS 106 30.000 10.615 20.776 825 HB2 CYS 106 1HB CYS 106 31.879 11.686 19.312 826 HB3 CYS 106 2HB CYS 106 30.630 12.844 18.869 827 HG CYS 106 HG CYS 106 32.523 12.782 21.536 828 H GLU 107 H GLU 107 28.208 11.424 21.661 829 HA GLU 107 HA GLU 107 25.976 11.964 21.762 830 HB2 GLU 107 1HB GLU 107 25.563 14.235 21.206 831 HB3 GLU 107 2HB GLU 107 27.256 14.142 21.669 832 HG2 GLU 107 1HG GLU 107 27.951 14.225 19.381 833 HG3 GLU 107 2HG GLU 107 26.283 14.108 18.824 Start of MODEL 4 1 H1 MET 1 H MET 1 1.135 -1.221 -0.233 2 HA MET 1 HA MET 1 2.691 0.514 -1.762 3 HB2 MET 1 1HB MET 1 4.292 -1.428 -0.602 4 HB3 MET 1 2HB MET 1 3.999 -2.051 -2.220 5 HG2 MET 1 1HG MET 1 5.872 -0.816 -2.592 6 HG3 MET 1 2HG MET 1 4.633 0.389 -2.932 7 HE1 MET 1 3HE MET 1 7.482 0.973 -2.558 8 HE2 MET 1 1HE MET 1 6.679 2.527 -2.332 9 HE3 MET 1 2HE MET 1 7.867 1.969 -1.154 10 H ASP 2 H ASP 2 1.760 0.566 -3.699 11 HA ASP 2 HA ASP 2 -0.147 -1.459 -4.434 12 HB2 ASP 2 1HB ASP 2 -0.104 1.182 -4.863 13 HB3 ASP 2 2HB ASP 2 0.638 0.657 -6.372 14 H ASN 3 H ASN 3 -0.107 -2.763 -6.285 15 HA ASN 3 HA ASN 3 2.276 -4.045 -6.873 16 HB2 ASN 3 1HB ASN 3 -0.334 -3.877 -8.370 17 HB3 ASN 3 2HB ASN 3 1.009 -4.849 -8.964 18 HD21 ASN 3 2HD2 ASN 3 1.983 -6.293 -7.191 19 HD22 ASN 3 1HD2 ASN 3 0.839 -7.173 -6.241 20 H ARG 4 H ARG 4 0.634 -1.474 -8.684 21 HA ARG 4 HA ARG 4 2.556 -1.377 -10.778 22 HB2 ARG 4 1HB ARG 4 0.209 0.214 -9.935 23 HB3 ARG 4 2HB ARG 4 1.421 1.077 -10.873 24 HG2 ARG 4 1HG ARG 4 0.013 0.309 -12.516 25 HG3 ARG 4 2HG ARG 4 1.240 -0.959 -12.480 26 HD2 ARG 4 1HD ARG 4 -1.020 -1.893 -12.567 27 HD3 ARG 4 2HD ARG 4 -0.194 -2.330 -11.072 28 HE ARG 4 HE ARG 4 -1.701 0.004 -10.649 29 HH11 ARG 4 2HH1 ARG 4 -2.123 -3.404 -11.217 30 HH12 ARG 4 1HH1 ARG 4 -3.629 -3.493 -10.365 31 HH21 ARG 4 2HH2 ARG 4 -3.683 -0.099 -9.525 32 HH22 ARG 4 1HH2 ARG 4 -4.516 -1.612 -9.404 33 H VAL 5 H VAL 5 2.098 0.441 -7.781 34 HA VAL 5 HA VAL 5 4.103 2.366 -8.201 35 HB VAL 5 HB VAL 5 3.097 1.236 -5.585 36 HG11 VAL 5 1HG1 VAL 5 3.937 3.946 -5.395 37 HG12 VAL 5 2HG1 VAL 5 4.578 2.531 -4.557 38 HG13 VAL 5 3HG1 VAL 5 5.243 3.009 -6.120 39 HG21 VAL 5 3HG2 VAL 5 1.441 2.313 -7.217 40 HG22 VAL 5 1HG2 VAL 5 1.478 2.926 -5.564 41 HG23 VAL 5 2HG2 VAL 5 2.269 3.827 -6.857 42 H ARG 6 H ARG 6 4.201 -0.874 -6.809 43 HA ARG 6 HA ARG 6 6.832 -0.770 -5.812 44 HB2 ARG 6 1HB ARG 6 4.883 -2.551 -5.546 45 HB3 ARG 6 2HB ARG 6 5.734 -3.333 -6.871 46 HG2 ARG 6 1HG ARG 6 7.224 -4.166 -5.468 47 HG3 ARG 6 2HG ARG 6 7.624 -2.550 -4.883 48 HD2 ARG 6 1HD ARG 6 6.264 -2.722 -3.068 49 HD3 ARG 6 2HD ARG 6 5.106 -3.760 -3.899 50 HE ARG 6 HE ARG 6 7.631 -5.030 -3.385 51 HH11 ARG 6 2HH1 ARG 6 4.491 -4.275 -2.086 52 HH12 ARG 6 1HH1 ARG 6 4.497 -5.590 -0.957 53 HH21 ARG 6 2HH2 ARG 6 7.652 -6.764 -1.903 54 HH22 ARG 6 1HH2 ARG 6 6.296 -7.005 -0.854 55 H GLU 7 H GLU 7 5.528 -1.603 -8.977 56 HA GLU 7 HA GLU 7 7.878 -2.647 -10.109 57 HB2 GLU 7 1HB GLU 7 5.391 -2.564 -10.980 58 HB3 GLU 7 2HB GLU 7 5.941 -1.095 -11.774 59 HG2 GLU 7 1HG GLU 7 7.833 -2.500 -12.721 60 HG3 GLU 7 2HG GLU 7 6.917 -3.902 -12.170 61 H ALA 8 H ALA 8 6.725 0.638 -9.702 62 HA ALA 8 HA ALA 8 8.489 1.943 -11.450 63 HB1 ALA 8 1HB ALA 8 6.690 3.215 -10.668 64 HB2 ALA 8 2HB ALA 8 7.037 2.835 -8.981 65 HB3 ALA 8 3HB ALA 8 8.100 3.920 -9.876 66 H CYS 9 H CYS 9 8.875 0.829 -8.139 67 HA CYS 9 HA CYS 9 11.225 2.189 -7.479 68 HB2 CYS 9 1HB CYS 9 9.982 1.035 -5.773 69 HB3 CYS 9 2HB CYS 9 10.196 -0.508 -6.590 70 HG CYS 9 HG CYS 9 12.568 -1.086 -5.675 71 H GLN 10 H GLN 10 10.697 -0.732 -9.343 72 HA GLN 10 HA GLN 10 13.372 -1.632 -9.404 73 HB2 GLN 10 1HB GLN 10 10.893 -2.189 -10.931 74 HB3 GLN 10 2HB GLN 10 12.409 -2.605 -11.718 75 HG2 GLN 10 1HG GLN 10 11.798 -3.503 -8.927 76 HG3 GLN 10 2HG GLN 10 11.231 -4.400 -10.334 77 HE21 GLN 10 2HE2 GLN 10 12.928 -4.996 -11.925 78 HE22 GLN 10 1HE2 GLN 10 14.470 -5.476 -11.312 79 H TYR 11 H TYR 11 11.508 0.425 -11.612 80 HA TYR 11 HA TYR 11 13.621 0.779 -13.478 81 HB2 TYR 11 1HB TYR 11 11.388 1.147 -14.238 82 HB3 TYR 11 2HB TYR 11 11.076 2.320 -12.964 83 HD1 TYR 11 HD1 TYR 11 13.772 1.913 -15.529 84 HD2 TYR 11 HD2 TYR 11 10.809 4.441 -13.817 85 HE1 TYR 11 HE1 TYR 11 14.456 3.728 -17.041 86 HE2 TYR 11 HE2 TYR 11 11.484 6.263 -15.325 87 HH TYR 11 HH TYR 11 13.564 5.765 -17.993 88 H ILE 12 H ILE 12 12.341 2.823 -10.865 89 HA ILE 12 HA ILE 12 14.114 4.969 -11.207 90 HB ILE 12 HB ILE 12 12.775 4.027 -8.669 91 HG12 ILE 12 1HG1 ILE 12 11.826 6.390 -10.197 92 HG13 ILE 12 2HG1 ILE 12 11.504 4.810 -10.901 93 HG21 ILE 12 1HG2 ILE 12 14.687 6.112 -9.147 94 HG22 ILE 12 2HG2 ILE 12 13.149 6.804 -8.633 95 HG23 ILE 12 3HG2 ILE 12 13.952 5.597 -7.629 96 HD11 ILE 12 3HD1 ILE 12 10.486 4.172 -8.685 97 HD12 ILE 12 1HD1 ILE 12 10.585 5.879 -8.254 98 HD13 ILE 12 2HD1 ILE 12 9.608 5.372 -9.632 99 H SER 13 H SER 13 14.360 2.025 -9.266 100 HA SER 13 HA SER 13 16.664 2.635 -7.827 101 HB2 SER 13 1HB SER 13 15.428 0.689 -7.215 102 HB3 SER 13 2HB SER 13 15.587 -0.003 -8.830 103 HG SER 13 HG SER 13 17.628 0.367 -6.897 104 H ASP 14 H ASP 14 16.312 1.198 -11.044 105 HA ASP 14 HA ASP 14 19.077 0.757 -11.475 106 HB2 ASP 14 1HB ASP 14 16.625 0.770 -13.163 107 HB3 ASP 14 2HB ASP 14 18.177 0.915 -13.985 108 H HIS 15 H HIS 15 17.096 3.560 -11.631 109 HA HIS 15 HA HIS 15 19.123 5.028 -13.161 110 HB2 HIS 15 1HB HIS 15 16.225 5.465 -12.589 111 HB3 HIS 15 2HB HIS 15 17.239 6.871 -12.898 112 HD1 HIS 15 HD1 HIS 15 16.975 7.561 -15.247 113 HD2 HIS 15 HD2 HIS 15 16.931 3.425 -14.851 114 HE1 HIS 15 HE1 HIS 15 16.753 6.664 -17.586 115 H LEU 16 H LEU 16 19.130 4.152 -10.221 116 HA LEU 16 HA LEU 16 18.912 6.401 -8.569 117 HB2 LEU 16 1HB LEU 16 19.137 4.003 -7.857 118 HB3 LEU 16 2HB LEU 16 20.858 4.129 -8.217 119 HG LEU 16 HG LEU 16 19.832 6.174 -6.372 120 HD11 LEU 16 1HD1 LEU 16 20.194 4.156 -4.596 121 HD12 LEU 16 2HD1 LEU 16 19.352 3.320 -5.900 122 HD13 LEU 16 3HD1 LEU 16 18.623 4.738 -5.147 123 HD21 LEU 16 3HD2 LEU 16 22.037 4.396 -5.614 124 HD22 LEU 16 1HD2 LEU 16 21.956 6.157 -5.652 125 HD23 LEU 16 2HD2 LEU 16 22.275 5.257 -7.135 126 H ALA 17 H ALA 17 21.464 5.337 -10.698 127 HA ALA 17 HA ALA 17 23.298 7.373 -9.692 128 HB1 ALA 17 1HB ALA 17 24.507 6.198 -11.877 129 HB2 ALA 17 2HB ALA 17 24.747 5.753 -10.187 130 HB3 ALA 17 3HB ALA 17 23.565 4.886 -11.168 131 H ASP 18 H ASP 18 21.030 6.875 -12.222 132 HA ASP 18 HA ASP 18 22.085 8.557 -14.210 133 HB2 ASP 18 1HB ASP 18 19.367 7.515 -13.547 134 HB3 ASP 18 2HB ASP 18 19.497 8.828 -14.713 135 H SER 19 H SER 19 21.576 10.713 -14.766 136 HA SER 19 HA SER 19 21.043 12.396 -12.431 137 HB2 SER 19 1HB SER 19 22.105 13.210 -15.145 138 HB3 SER 19 2HB SER 19 22.069 14.200 -13.686 139 HG SER 19 HG SER 19 23.555 12.793 -12.745 140 H ASN 20 H ASN 20 20.114 12.162 -15.861 141 HA ASN 20 HA ASN 20 17.953 14.030 -15.542 142 HB2 ASN 20 1HB ASN 20 18.545 12.161 -17.848 143 HB3 ASN 20 2HB ASN 20 17.452 13.541 -17.881 144 HD21 ASN 20 2HD2 ASN 20 18.239 15.396 -18.571 145 HD22 ASN 20 1HD2 ASN 20 19.914 15.799 -18.703 146 H PHE 21 H PHE 21 16.281 13.420 -14.315 147 HA PHE 21 HA PHE 21 15.164 10.726 -14.725 148 HB2 PHE 21 1HB PHE 21 15.961 11.230 -12.420 149 HB3 PHE 21 2HB PHE 21 14.794 12.545 -12.337 150 HD1 PHE 21 HD2 PHE 21 14.421 9.110 -13.710 151 HD2 PHE 21 HD1 PHE 21 13.262 11.913 -10.725 152 HE1 PHE 21 HE2 PHE 21 12.712 7.536 -12.902 153 HE2 PHE 21 HE1 PHE 21 11.551 10.343 -9.910 154 HZ PHE 21 HZ PHE 21 11.273 8.152 -11.000 155 H ASP 22 H ASP 22 13.262 10.581 -15.703 156 HA ASP 22 HA ASP 22 11.554 12.982 -15.806 157 HB2 ASP 22 1HB ASP 22 12.547 12.291 -17.993 158 HB3 ASP 22 2HB ASP 22 11.693 10.757 -17.850 159 H ILE 23 H ILE 23 9.879 12.759 -14.484 160 HA ILE 23 HA ILE 23 8.954 10.404 -13.345 161 HB ILE 23 HB ILE 23 8.413 12.698 -12.536 162 HG12 ILE 23 1HG1 ILE 23 6.039 10.880 -13.005 163 HG13 ILE 23 2HG1 ILE 23 7.204 10.732 -11.694 164 HG21 ILE 23 1HG2 ILE 23 6.146 12.764 -14.482 165 HG22 ILE 23 2HG2 ILE 23 6.868 14.081 -13.558 166 HG23 ILE 23 3HG2 ILE 23 7.727 13.399 -14.939 167 HD11 ILE 23 3HD1 ILE 23 4.822 12.279 -11.812 168 HD12 ILE 23 1HD1 ILE 23 5.932 12.047 -10.461 169 HD13 ILE 23 2HD1 ILE 23 6.200 13.361 -11.608 170 H ALA 24 H ALA 24 8.275 11.784 -16.452 171 HA ALA 24 HA ALA 24 5.844 10.519 -17.043 172 HB1 ALA 24 1HB ALA 24 6.202 11.990 -18.694 173 HB2 ALA 24 2HB ALA 24 7.957 11.877 -18.549 174 HB3 ALA 24 3HB ALA 24 7.068 10.664 -19.471 175 H SER 25 H SER 25 9.191 9.446 -17.481 176 HA SER 25 HA SER 25 8.618 7.063 -18.860 177 HB2 SER 25 1HB SER 25 10.961 7.582 -17.016 178 HB3 SER 25 2HB SER 25 10.882 6.389 -18.312 179 HG SER 25 HG SER 25 10.390 9.054 -18.971 180 H VAL 26 H VAL 26 8.573 7.882 -15.470 181 HA VAL 26 HA VAL 26 8.546 5.223 -14.462 182 HB VAL 26 HB VAL 26 7.503 7.753 -13.180 183 HG11 VAL 26 1HG1 VAL 26 8.252 5.110 -11.933 184 HG12 VAL 26 2HG1 VAL 26 7.713 6.554 -11.074 185 HG13 VAL 26 3HG1 VAL 26 6.609 5.708 -12.158 186 HG21 VAL 26 3HG2 VAL 26 10.190 6.720 -13.636 187 HG22 VAL 26 1HG2 VAL 26 9.661 8.334 -13.161 188 HG23 VAL 26 2HG2 VAL 26 9.861 7.076 -11.941 189 H ALA 27 H ALA 27 6.041 7.506 -15.427 190 HA ALA 27 HA ALA 27 3.838 6.015 -14.454 191 HB1 ALA 27 1HB ALA 27 4.067 8.507 -15.343 192 HB2 ALA 27 2HB ALA 27 3.485 7.755 -16.829 193 HB3 ALA 27 3HB ALA 27 2.529 7.644 -15.351 194 H GLN 28 H GLN 28 5.298 6.273 -17.689 195 HA GLN 28 HA GLN 28 3.551 4.498 -18.981 196 HB2 GLN 28 1HB GLN 28 5.320 4.325 -20.703 197 HB3 GLN 28 2HB GLN 28 4.981 5.988 -20.245 198 HG2 GLN 28 1HG GLN 28 6.959 5.966 -18.784 199 HG3 GLN 28 2HG GLN 28 7.312 4.324 -19.321 200 HE21 GLN 28 2HE2 GLN 28 8.138 3.984 -21.358 201 HE22 GLN 28 1HE2 GLN 28 8.728 5.265 -22.356 202 H HIS 29 H HIS 29 6.528 3.962 -17.183 203 HA HIS 29 HA HIS 29 7.009 1.304 -17.877 204 HB2 HIS 29 1HB HIS 29 8.693 2.478 -16.672 205 HB3 HIS 29 2HB HIS 29 7.589 2.848 -15.350 206 HD1 HIS 29 HD1 HIS 29 8.078 -0.584 -16.853 207 HD2 HIS 29 HD2 HIS 29 8.898 1.498 -13.353 208 HE1 HIS 29 HE1 HIS 29 8.930 -2.306 -15.231 209 H VAL 30 H VAL 30 4.783 2.699 -15.549 210 HA VAL 30 HA VAL 30 3.964 0.033 -14.657 211 HB VAL 30 HB VAL 30 2.648 1.177 -12.950 212 HG11 VAL 30 1HG1 VAL 30 4.563 2.357 -11.779 213 HG12 VAL 30 2HG1 VAL 30 4.857 0.691 -12.280 214 HG13 VAL 30 3HG1 VAL 30 5.519 2.027 -13.223 215 HG21 VAL 30 3HG2 VAL 30 2.648 3.575 -12.709 216 HG22 VAL 30 1HG2 VAL 30 3.719 3.751 -14.099 217 HG23 VAL 30 2HG2 VAL 30 2.073 3.161 -14.323 218 H CYS 31 H CYS 31 3.334 1.563 -17.293 219 HA CYS 31 HA CYS 31 1.583 1.817 -18.728 220 HB2 CYS 31 1HB CYS 31 0.363 -0.421 -17.101 221 HB3 CYS 31 2HB CYS 31 -0.027 0.005 -18.763 222 HG CYS 31 HG CYS 31 2.425 -1.910 -17.581 223 H LEU 32 H LEU 32 1.538 3.531 -16.460 224 HA LEU 32 HA LEU 32 -1.329 4.110 -16.384 225 HB2 LEU 32 1HB LEU 32 -0.347 2.860 -14.287 226 HB3 LEU 32 2HB LEU 32 0.240 4.470 -13.876 227 HG LEU 32 HG LEU 32 -2.090 5.296 -13.940 228 HD11 LEU 32 1HD1 LEU 32 -3.721 3.179 -13.693 229 HD12 LEU 32 2HD1 LEU 32 -2.562 2.532 -14.853 230 HD13 LEU 32 3HD1 LEU 32 -3.439 4.018 -15.218 231 HD21 LEU 32 3HD2 LEU 32 -1.368 4.836 -11.786 232 HD22 LEU 32 1HD2 LEU 32 -1.273 3.099 -12.079 233 HD23 LEU 32 2HD2 LEU 32 -2.846 3.880 -11.911 234 H SER 33 H SER 33 -1.808 6.328 -15.761 235 HA SER 33 HA SER 33 -0.032 8.170 -17.000 236 HB2 SER 33 1HB SER 33 -2.104 9.326 -15.265 237 HB3 SER 33 2HB SER 33 -1.807 9.572 -16.986 238 HG SER 33 HG SER 33 -3.549 8.401 -17.179 239 HA PRO 34 HA PRO 34 2.459 9.590 -13.680 240 HB2 PRO 34 1HB PRO 34 2.638 12.248 -14.200 241 HB3 PRO 34 2HB PRO 34 3.456 11.021 -15.175 242 HG2 PRO 34 1HG PRO 34 0.887 12.462 -15.709 243 HG3 PRO 34 2HG PRO 34 2.213 12.088 -16.826 244 HD2 PRO 34 1HD PRO 34 -0.069 10.632 -16.733 245 HD3 PRO 34 2HD PRO 34 1.505 9.916 -17.137 246 H SER 35 H SER 35 -0.435 11.565 -14.263 247 HA SER 35 HA SER 35 -0.468 12.782 -11.704 248 HB2 SER 35 1HB SER 35 -1.663 13.739 -13.627 249 HB3 SER 35 2HB SER 35 -2.744 12.346 -13.655 250 HG SER 35 HG SER 35 -3.881 13.289 -12.176 251 H ARG 36 H ARG 36 -2.207 9.997 -13.060 252 HA ARG 36 HA ARG 36 -3.644 9.407 -10.685 253 HB2 ARG 36 1HB ARG 36 -4.354 8.638 -12.919 254 HB3 ARG 36 2HB ARG 36 -2.944 7.590 -12.998 255 HG2 ARG 36 1HG ARG 36 -4.898 6.308 -12.409 256 HG3 ARG 36 2HG ARG 36 -3.776 6.350 -11.048 257 HD2 ARG 36 1HD ARG 36 -6.164 6.681 -10.416 258 HD3 ARG 36 2HD ARG 36 -5.096 7.996 -9.924 259 HE ARG 36 HE ARG 36 -6.286 8.517 -12.452 260 HH11 ARG 36 2HH1 ARG 36 -6.919 8.524 -9.029 261 HH12 ARG 36 1HH1 ARG 36 -8.147 9.742 -9.127 262 HH21 ARG 36 2HH2 ARG 36 -7.902 10.120 -12.594 263 HH22 ARG 36 1HH2 ARG 36 -8.707 10.648 -11.155 264 H LEU 37 H LEU 37 -0.599 8.235 -12.043 265 HA LEU 37 HA LEU 37 -0.154 6.232 -10.084 266 HB2 LEU 37 1HB LEU 37 0.988 6.062 -12.160 267 HB3 LEU 37 2HB LEU 37 1.678 7.674 -11.984 268 HG LEU 37 HG LEU 37 2.958 6.743 -9.992 269 HD11 LEU 37 1HD1 LEU 37 3.286 4.139 -10.564 270 HD12 LEU 37 2HD1 LEU 37 1.577 4.324 -10.958 271 HD13 LEU 37 3HD1 LEU 37 2.159 4.736 -9.346 272 HD21 LEU 37 3HD2 LEU 37 3.575 6.920 -12.638 273 HD22 LEU 37 1HD2 LEU 37 3.928 5.224 -12.303 274 HD23 LEU 37 2HD2 LEU 37 4.715 6.491 -11.362 275 H SER 38 H SER 38 0.957 9.581 -10.421 276 HA SER 38 HA SER 38 2.652 9.648 -8.196 277 HB2 SER 38 1HB SER 38 1.074 11.805 -9.597 278 HB3 SER 38 2HB SER 38 2.152 12.155 -8.246 279 HG SER 38 HG SER 38 3.751 10.921 -9.601 280 H HIS 39 H HIS 39 -0.821 10.195 -8.482 281 HA HIS 39 HA HIS 39 -1.306 11.169 -5.905 282 HB2 HIS 39 1HB HIS 39 -2.959 11.208 -7.752 283 HB3 HIS 39 2HB HIS 39 -3.138 9.462 -7.604 284 HD1 HIS 39 HD1 HIS 39 -4.566 12.555 -6.440 285 HD2 HIS 39 HD2 HIS 39 -4.143 8.717 -4.906 286 HE1 HIS 39 HE1 HIS 39 -6.241 12.389 -4.571 287 H LEU 40 H LEU 40 -1.412 7.833 -7.136 288 HA LEU 40 HA LEU 40 -1.999 6.691 -4.591 289 HB2 LEU 40 1HB LEU 40 -0.790 5.314 -6.979 290 HB3 LEU 40 2HB LEU 40 -1.675 4.568 -5.649 291 HG LEU 40 HG LEU 40 -2.899 6.465 -7.649 292 HD11 LEU 40 1HD1 LEU 40 -3.197 4.787 -9.071 293 HD12 LEU 40 2HD1 LEU 40 -3.793 3.727 -7.795 294 HD13 LEU 40 3HD1 LEU 40 -2.061 3.850 -8.101 295 HD21 LEU 40 3HD2 LEU 40 -4.340 6.561 -5.885 296 HD22 LEU 40 1HD2 LEU 40 -3.884 4.968 -5.280 297 HD23 LEU 40 2HD2 LEU 40 -4.954 5.107 -6.676 298 H PHE 41 H PHE 41 0.929 7.441 -6.342 299 HA PHE 41 HA PHE 41 2.747 5.860 -4.922 300 HB2 PHE 41 1HB PHE 41 2.928 7.649 -6.988 301 HB3 PHE 41 2HB PHE 41 3.743 8.516 -5.690 302 HD1 PHE 41 HD2 PHE 41 5.783 7.627 -4.691 303 HD2 PHE 41 HD1 PHE 41 3.870 5.669 -7.950 304 HE1 PHE 41 HE2 PHE 41 7.823 6.312 -5.094 305 HE2 PHE 41 HE1 PHE 41 5.906 4.350 -8.358 306 HZ PHE 41 HZ PHE 41 7.887 4.671 -6.930 307 H ARG 42 H ARG 42 1.747 9.228 -4.357 308 HA ARG 42 HA ARG 42 3.293 9.548 -2.000 309 HB2 ARG 42 1HB ARG 42 1.088 11.071 -3.321 310 HB3 ARG 42 2HB ARG 42 1.501 11.459 -1.656 311 HG2 ARG 42 1HG ARG 42 3.321 12.575 -2.270 312 HG3 ARG 42 2HG ARG 42 3.851 11.273 -3.338 313 HD2 ARG 42 1HD ARG 42 3.468 12.825 -4.936 314 HD3 ARG 42 2HD ARG 42 1.813 12.235 -4.788 315 HE ARG 42 HE ARG 42 2.129 14.288 -2.941 316 HH11 ARG 42 2HH1 ARG 42 2.187 13.863 -6.396 317 HH12 ARG 42 1HH1 ARG 42 1.636 15.470 -6.734 318 HH21 ARG 42 2HH2 ARG 42 1.403 16.407 -3.373 319 HH22 ARG 42 1HH2 ARG 42 1.192 16.917 -5.014 320 H GLN 43 H GLN 43 0.179 8.184 -2.650 321 HA GLN 43 HA GLN 43 -0.776 8.338 0.056 322 HB2 GLN 43 1HB GLN 43 -2.229 8.230 -2.017 323 HB3 GLN 43 2HB GLN 43 -1.797 6.529 -2.132 324 HG2 GLN 43 1HG GLN 43 -3.796 6.421 -1.022 325 HG3 GLN 43 2HG GLN 43 -2.651 6.422 0.319 326 HE21 GLN 43 2HE2 GLN 43 -2.491 8.225 1.633 327 HE22 GLN 43 1HE2 GLN 43 -3.671 9.486 1.625 328 H GLN 44 H GLN 44 0.721 5.871 -1.983 329 HA GLN 44 HA GLN 44 0.584 3.863 0.082 330 HB2 GLN 44 1HB GLN 44 2.012 3.891 -2.581 331 HB3 GLN 44 2HB GLN 44 1.914 2.497 -1.514 332 HG2 GLN 44 1HG GLN 44 -0.558 3.857 -2.508 333 HG3 GLN 44 2HG GLN 44 0.284 2.657 -3.486 334 HE21 GLN 44 2HE2 GLN 44 -2.370 2.476 -2.445 335 HE22 GLN 44 1HE2 GLN 44 -2.413 1.109 -1.390 336 H LEU 45 H LEU 45 3.033 5.992 -1.303 337 HA LEU 45 HA LEU 45 5.089 4.930 0.455 338 HB2 LEU 45 1HB LEU 45 5.097 6.147 -2.041 339 HB3 LEU 45 2HB LEU 45 5.776 7.363 -0.960 340 HG LEU 45 HG LEU 45 6.845 4.563 -0.977 341 HD11 LEU 45 1HD1 LEU 45 8.527 5.295 -2.612 342 HD12 LEU 45 2HD1 LEU 45 7.638 6.801 -2.835 343 HD13 LEU 45 3HD1 LEU 45 6.900 5.266 -3.293 344 HD21 LEU 45 3HD2 LEU 45 8.688 5.469 0.078 345 HD22 LEU 45 1HD2 LEU 45 7.373 6.431 0.752 346 HD23 LEU 45 2HD2 LEU 45 8.377 7.092 -0.539 347 H GLY 46 H GLY 46 2.741 7.399 0.479 348 HA2 GLY 46 1HA GLY 46 2.214 8.966 2.077 349 HA3 GLY 46 2HA GLY 46 3.434 8.227 3.103 350 H ILE 47 H ILE 47 4.763 9.087 0.152 351 HA ILE 47 HA ILE 47 5.379 11.828 0.904 352 HB ILE 47 HB ILE 47 7.769 11.558 0.864 353 HG12 ILE 47 1HG1 ILE 47 7.226 8.615 0.412 354 HG13 ILE 47 2HG1 ILE 47 7.913 9.733 -0.762 355 HG21 ILE 47 1HG2 ILE 47 8.105 10.243 2.898 356 HG22 ILE 47 2HG2 ILE 47 6.660 11.246 3.012 357 HG23 ILE 47 3HG2 ILE 47 6.511 9.518 2.693 358 HD11 ILE 47 3HD1 ILE 47 9.681 8.436 0.151 359 HD12 ILE 47 1HD1 ILE 47 9.826 10.071 0.796 360 HD13 ILE 47 2HD1 ILE 47 9.160 8.782 1.800 361 H SER 48 H SER 48 6.969 12.774 -0.790 362 HA SER 48 HA SER 48 5.780 12.329 -3.364 363 HB2 SER 48 1HB SER 48 7.834 14.235 -2.283 364 HB3 SER 48 2HB SER 48 7.592 14.087 -4.023 365 HG SER 48 HG SER 48 5.866 15.073 -2.055 366 H VAL 49 H VAL 49 6.785 11.606 -5.245 367 HA VAL 49 HA VAL 49 8.472 9.417 -5.051 368 HB VAL 49 HB VAL 49 8.239 11.214 -7.467 369 HG11 VAL 49 1HG1 VAL 49 10.018 9.539 -7.600 370 HG12 VAL 49 2HG1 VAL 49 8.851 8.269 -7.226 371 HG13 VAL 49 3HG1 VAL 49 8.712 9.181 -8.729 372 HG21 VAL 49 3HG2 VAL 49 6.087 10.674 -7.579 373 HG22 VAL 49 1HG2 VAL 49 6.543 8.974 -7.696 374 HG23 VAL 49 2HG2 VAL 49 6.225 9.696 -6.118 375 H LEU 50 H LEU 50 9.278 12.792 -5.775 376 HA LEU 50 HA LEU 50 12.011 12.407 -6.289 377 HB2 LEU 50 1HB LEU 50 10.385 14.497 -6.512 378 HB3 LEU 50 2HB LEU 50 11.117 14.907 -4.962 379 HG LEU 50 HG LEU 50 12.240 16.039 -6.805 380 HD11 LEU 50 1HD1 LEU 50 13.424 14.846 -4.723 381 HD12 LEU 50 2HD1 LEU 50 14.305 15.792 -5.922 382 HD13 LEU 50 3HD1 LEU 50 14.268 14.033 -6.041 383 HD21 LEU 50 3HD2 LEU 50 12.521 15.025 -8.757 384 HD22 LEU 50 1HD2 LEU 50 11.965 13.499 -8.071 385 HD23 LEU 50 2HD2 LEU 50 13.675 13.923 -8.006 386 H SER 51 H SER 51 10.220 12.804 -3.304 387 HA SER 51 HA SER 51 12.507 13.208 -1.643 388 HB2 SER 51 1HB SER 51 9.637 12.473 -1.074 389 HB3 SER 51 2HB SER 51 10.843 12.593 0.207 390 HG SER 51 HG SER 51 9.477 14.553 -0.966 391 H TRP 52 H TRP 52 10.485 10.405 -2.431 392 HA TRP 52 HA TRP 52 11.691 8.554 -0.722 393 HB2 TRP 52 1HB TRP 52 9.621 7.995 -1.797 394 HB3 TRP 52 2HB TRP 52 10.335 8.186 -3.396 395 HD1 TRP 52 HD1 TRP 52 10.605 5.839 -0.327 396 HE1 TRP 52 HE1 TRP 52 11.304 3.509 -1.168 397 HE3 TRP 52 HE3 TRP 52 11.288 6.932 -5.275 398 HZ2 TRP 52 HZ2 TRP 52 12.046 2.295 -3.606 399 HZ3 TRP 52 HZ3 TRP 52 11.993 5.130 -6.794 400 HH2 TRP 52 HH2 TRP 52 12.365 2.860 -5.975 401 H ARG 53 H ARG 53 12.522 9.514 -4.025 402 HA ARG 53 HA ARG 53 14.511 7.621 -4.523 403 HB2 ARG 53 1HB ARG 53 13.579 9.103 -6.250 404 HB3 ARG 53 2HB ARG 53 14.366 10.481 -5.493 405 HG2 ARG 53 1HG ARG 53 16.528 9.032 -5.858 406 HG3 ARG 53 2HG ARG 53 15.535 8.276 -7.105 407 HD2 ARG 53 1HD ARG 53 15.041 10.826 -7.689 408 HD3 ARG 53 2HD ARG 53 16.625 11.030 -6.943 409 HE ARG 53 HE ARG 53 17.547 10.150 -8.829 410 HH11 ARG 53 2HH1 ARG 53 14.233 9.103 -8.633 411 HH12 ARG 53 1HH1 ARG 53 14.260 8.298 -10.168 412 HH21 ARG 53 2HH2 ARG 53 17.596 9.094 -10.850 413 HH22 ARG 53 1HH2 ARG 53 16.174 8.293 -11.427 414 H GLU 54 H GLU 54 14.772 10.864 -3.091 415 HA GLU 54 HA GLU 54 17.572 10.785 -2.715 416 HB2 GLU 54 1HB GLU 54 15.341 12.457 -1.635 417 HB3 GLU 54 2HB GLU 54 16.926 12.563 -0.883 418 HG2 GLU 54 1HG GLU 54 17.868 13.055 -3.150 419 HG3 GLU 54 2HG GLU 54 16.210 13.168 -3.737 420 H ASP 55 H ASP 55 14.847 9.879 -0.667 421 HA ASP 55 HA ASP 55 16.350 9.380 1.678 422 HB2 ASP 55 1HB ASP 55 13.745 9.603 1.267 423 HB3 ASP 55 2HB ASP 55 13.847 7.851 1.113 424 H GLN 56 H GLN 56 15.507 7.416 -1.106 425 HA GLN 56 HA GLN 56 16.302 4.922 -0.027 426 HB2 GLN 56 1HB GLN 56 15.693 5.983 -2.737 427 HB3 GLN 56 2HB GLN 56 16.622 4.493 -2.646 428 HG2 GLN 56 1HG GLN 56 14.053 4.823 -1.144 429 HG3 GLN 56 2HG GLN 56 14.079 4.329 -2.837 430 HE21 GLN 56 2HE2 GLN 56 15.776 2.522 -3.229 431 HE22 GLN 56 1HE2 GLN 56 15.699 1.200 -2.121 432 H ARG 57 H ARG 57 17.985 7.316 -2.033 433 HA ARG 57 HA ARG 57 20.403 5.822 -2.208 434 HB2 ARG 57 1HB ARG 57 21.374 7.956 -3.042 435 HB3 ARG 57 2HB ARG 57 19.910 7.476 -3.890 436 HG2 ARG 57 1HG ARG 57 18.629 9.057 -2.479 437 HG3 ARG 57 2HG ARG 57 20.152 9.594 -1.766 438 HD2 ARG 57 1HD ARG 57 19.282 11.030 -3.630 439 HD3 ARG 57 2HD ARG 57 20.927 10.434 -3.849 440 HE ARG 57 HE ARG 57 18.989 8.727 -5.066 441 HH11 ARG 57 2HH1 ARG 57 20.789 11.678 -5.480 442 HH12 ARG 57 1HH1 ARG 57 20.726 11.628 -7.210 443 HH21 ARG 57 2HH2 ARG 57 18.900 8.649 -7.344 444 HH22 ARG 57 1HH2 ARG 57 19.650 9.905 -8.270 445 H ILE 58 H ILE 58 19.306 8.489 -0.151 446 HA ILE 58 HA ILE 58 21.741 8.857 1.228 447 HB ILE 58 HB ILE 58 18.899 9.508 1.993 448 HG12 ILE 58 1HG1 ILE 58 19.947 10.747 0.094 449 HG13 ILE 58 2HG1 ILE 58 19.516 11.779 1.452 450 HG21 ILE 58 1HG2 ILE 58 21.337 9.563 3.608 451 HG22 ILE 58 2HG2 ILE 58 20.455 11.089 3.582 452 HG23 ILE 58 3HG2 ILE 58 19.645 9.612 4.103 453 HD11 ILE 58 3HD1 ILE 58 21.965 11.638 0.161 454 HD12 ILE 58 1HD1 ILE 58 21.607 12.468 1.675 455 HD13 ILE 58 2HD1 ILE 58 22.218 10.813 1.699 456 H SER 59 H SER 59 18.892 6.870 1.911 457 HA SER 59 HA SER 59 19.818 5.939 4.434 458 HB2 SER 59 1HB SER 59 17.428 5.921 3.773 459 HB3 SER 59 2HB SER 59 17.787 4.674 2.578 460 HG SER 59 HG SER 59 17.570 3.291 4.129 461 H GLN 60 H GLN 60 20.215 4.865 1.133 462 HA GLN 60 HA GLN 60 21.209 2.270 1.746 463 HB2 GLN 60 1HB GLN 60 20.259 2.947 -0.464 464 HB3 GLN 60 2HB GLN 60 21.703 3.911 -0.743 465 HG2 GLN 60 1HG GLN 60 21.713 1.691 -1.857 466 HG3 GLN 60 2HG GLN 60 23.084 1.977 -0.786 467 HE21 GLN 60 2HE2 GLN 60 23.265 0.811 1.112 468 HE22 GLN 60 1HE2 GLN 60 22.321 -0.601 1.428 469 H ALA 61 H ALA 61 22.707 5.415 1.207 470 HA ALA 61 HA ALA 61 25.388 4.492 1.179 471 HB1 ALA 61 1HB ALA 61 24.021 7.093 1.275 472 HB2 ALA 61 2HB ALA 61 25.630 7.059 1.999 473 HB3 ALA 61 3HB ALA 61 25.408 6.570 0.319 474 H LYS 62 H LYS 62 23.337 5.858 3.736 475 HA LYS 62 HA LYS 62 25.348 5.699 5.751 476 HB2 LYS 62 1HB LYS 62 23.642 6.353 7.286 477 HB3 LYS 62 2HB LYS 62 23.361 7.239 5.793 478 HG2 LYS 62 1HG LYS 62 21.664 5.494 5.190 479 HG3 LYS 62 2HG LYS 62 21.851 4.852 6.823 480 HD2 LYS 62 1HD LYS 62 21.048 7.685 6.162 481 HD3 LYS 62 2HD LYS 62 19.927 6.394 6.600 482 HE2 LYS 62 1HE LYS 62 22.183 7.402 8.332 483 HE3 LYS 62 2HE LYS 62 20.490 7.865 8.502 484 HZ1 LYS 62 3HZ LYS 62 21.787 5.634 9.578 485 HZ2 LYS 62 1HZ LYS 62 20.642 5.070 8.468 486 HZ3 LYS 62 2HZ LYS 62 20.163 6.077 9.739 487 H LEU 63 H LEU 63 22.832 3.555 4.599 488 HA LEU 63 HA LEU 63 22.720 1.753 6.725 489 HB2 LEU 63 1HB LEU 63 21.102 1.646 4.976 490 HB3 LEU 63 2HB LEU 63 22.348 1.352 3.766 491 HG LEU 63 HG LEU 63 22.095 -0.653 5.930 492 HD11 LEU 63 1HD1 LEU 63 20.230 -1.769 4.797 493 HD12 LEU 63 2HD1 LEU 63 20.057 -0.379 3.725 494 HD13 LEU 63 3HD1 LEU 63 19.758 -0.202 5.454 495 HD21 LEU 63 3HD2 LEU 63 23.236 -0.413 3.320 496 HD22 LEU 63 1HD2 LEU 63 22.095 -1.758 3.340 497 HD23 LEU 63 2HD2 LEU 63 23.421 -1.710 4.502 498 H LEU 64 H LEU 64 24.749 1.644 3.801 499 HA LEU 64 HA LEU 64 26.178 -0.676 4.614 500 HB2 LEU 64 1HB LEU 64 27.437 -0.416 2.683 501 HB3 LEU 64 2HB LEU 64 25.877 0.284 2.258 502 HG LEU 64 HG LEU 64 27.105 2.518 3.011 503 HD11 LEU 64 1HD1 LEU 64 29.242 0.540 2.711 504 HD12 LEU 64 2HD1 LEU 64 29.245 2.105 3.523 505 HD13 LEU 64 3HD1 LEU 64 29.479 2.018 1.777 506 HD21 LEU 64 3HD2 LEU 64 27.289 3.042 0.764 507 HD22 LEU 64 1HD2 LEU 64 26.120 1.722 0.749 508 HD23 LEU 64 2HD2 LEU 64 27.802 1.414 0.319 509 H LEU 65 H LEU 65 26.724 2.784 4.933 510 HA LEU 65 HA LEU 65 29.383 2.787 5.739 511 HB2 LEU 65 1HB LEU 65 27.483 4.680 5.407 512 HB3 LEU 65 2HB LEU 65 27.595 4.643 7.166 513 HG LEU 65 HG LEU 65 30.147 4.855 5.681 514 HD11 LEU 65 1HD1 LEU 65 28.759 7.422 6.074 515 HD12 LEU 65 2HD1 LEU 65 28.178 6.430 4.737 516 HD13 LEU 65 3HD1 LEU 65 29.873 6.911 4.806 517 HD21 LEU 65 3HD2 LEU 65 29.707 6.787 7.741 518 HD22 LEU 65 1HD2 LEU 65 30.839 5.435 7.706 519 HD23 LEU 65 2HD2 LEU 65 29.200 5.197 8.313 520 H SER 66 H SER 66 26.509 1.875 7.476 521 HA SER 66 HA SER 66 27.648 1.971 10.087 522 HB2 SER 66 1HB SER 66 25.350 2.002 10.226 523 HB3 SER 66 2HB SER 66 25.147 0.880 8.881 524 HG SER 66 HG SER 66 24.691 0.073 11.086 525 H THR 67 H THR 67 27.494 -0.427 7.551 526 HA THR 67 HA THR 67 28.767 -2.410 9.303 527 HB THR 67 HB THR 67 26.817 -3.248 8.124 528 HG1 THR 67 HG1 THR 67 28.411 -4.787 8.360 529 HG21 THR 67 3HG2 THR 67 26.517 -1.999 6.204 530 HG22 THR 67 1HG2 THR 67 27.160 -3.501 5.541 531 HG23 THR 67 2HG2 THR 67 28.216 -2.103 5.744 532 H THR 68 H THR 68 29.776 0.022 7.481 533 HA THR 68 HA THR 68 32.199 -1.412 6.635 534 HB THR 68 HB THR 68 32.362 -0.101 4.604 535 HG1 THR 68 HG1 THR 68 31.320 1.798 5.215 536 HG21 THR 68 3HG2 THR 68 31.117 -1.606 3.528 537 HG22 THR 68 1HG2 THR 68 29.628 -0.853 4.098 538 HG23 THR 68 2HG2 THR 68 30.430 -2.077 5.083 539 H ARG 69 H ARG 69 34.028 0.157 6.187 540 HA ARG 69 HA ARG 69 33.904 2.417 8.075 541 HB2 ARG 69 1HB ARG 69 36.393 1.966 8.406 542 HB3 ARG 69 2HB ARG 69 35.275 0.824 9.140 543 HG2 ARG 69 1HG ARG 69 36.267 0.211 6.415 544 HG3 ARG 69 2HG ARG 69 37.396 0.046 7.761 545 HD2 ARG 69 1HD ARG 69 34.688 -1.133 8.066 546 HD3 ARG 69 2HD ARG 69 35.819 -1.943 6.982 547 HE ARG 69 HE ARG 69 35.916 -1.881 9.841 548 HH11 ARG 69 2HH1 ARG 69 37.838 -2.136 6.950 549 HH12 ARG 69 1HH1 ARG 69 39.131 -2.989 7.728 550 HH21 ARG 69 2HH2 ARG 69 37.610 -3.004 10.877 551 HH22 ARG 69 1HH2 ARG 69 38.999 -3.482 9.961 552 H MET 70 H MET 70 33.647 2.074 5.039 553 HA MET 70 HA MET 70 35.910 3.318 3.865 554 HB2 MET 70 1HB MET 70 33.064 3.244 2.847 555 HB3 MET 70 2HB MET 70 34.500 3.597 1.895 556 HG2 MET 70 1HG MET 70 35.321 1.296 2.480 557 HG3 MET 70 2HG MET 70 33.724 0.985 3.156 558 HE1 MET 70 3HE MET 70 31.553 0.164 1.309 559 HE2 MET 70 1HE MET 70 31.671 1.835 1.863 560 HE3 MET 70 2HE MET 70 31.400 1.490 0.155 561 HA PRO 71 HA PRO 71 35.313 7.568 4.791 562 HB2 PRO 71 1HB PRO 71 36.265 8.732 2.531 563 HB3 PRO 71 2HB PRO 71 37.311 7.955 3.726 564 HG2 PRO 71 1HG PRO 71 36.283 6.884 1.126 565 HG3 PRO 71 2HG PRO 71 37.908 6.758 1.824 566 HD2 PRO 71 1HD PRO 71 36.112 4.735 1.939 567 HD3 PRO 71 2HD PRO 71 37.312 5.020 3.216 568 H ILE 72 H ILE 72 34.239 9.560 4.057 569 HA ILE 72 HA ILE 72 31.623 9.079 3.152 570 HB ILE 72 HB ILE 72 33.056 11.736 3.157 571 HG12 ILE 72 1HG1 ILE 72 31.513 10.365 5.371 572 HG13 ILE 72 2HG1 ILE 72 33.252 10.637 5.341 573 HG21 ILE 72 1HG2 ILE 72 30.896 12.728 3.279 574 HG22 ILE 72 2HG2 ILE 72 30.866 11.572 1.949 575 HG23 ILE 72 3HG2 ILE 72 30.121 11.159 3.493 576 HD11 ILE 72 3HD1 ILE 72 32.444 12.315 6.719 577 HD12 ILE 72 1HD1 ILE 72 32.653 13.123 5.165 578 HD13 ILE 72 2HD1 ILE 72 31.045 12.622 5.690 579 H ALA 73 H ALA 73 34.547 9.987 1.472 580 HA ALA 73 HA ALA 73 33.386 10.902 -0.929 581 HB1 ALA 73 1HB ALA 73 35.688 11.381 -0.438 582 HB2 ALA 73 2HB ALA 73 36.084 9.662 -0.408 583 HB3 ALA 73 3HB ALA 73 35.611 10.432 -1.923 584 H THR 74 H THR 74 34.578 7.695 0.034 585 HA THR 74 HA THR 74 33.996 6.414 -2.415 586 HB THR 74 HB THR 74 34.233 5.224 0.355 587 HG1 THR 74 HG1 THR 74 36.364 4.649 -0.588 588 HG21 THR 74 3HG2 THR 74 33.075 3.668 -1.066 589 HG22 THR 74 1HG2 THR 74 34.740 3.119 -0.889 590 HG23 THR 74 2HG2 THR 74 34.231 3.928 -2.371 591 H VAL 75 H VAL 75 32.204 6.551 0.657 592 HA VAL 75 HA VAL 75 30.039 4.961 -0.063 593 HB VAL 75 HB VAL 75 29.910 7.392 1.724 594 HG11 VAL 75 1HG1 VAL 75 28.299 4.858 1.898 595 HG12 VAL 75 2HG1 VAL 75 28.022 6.389 2.730 596 HG13 VAL 75 3HG1 VAL 75 27.762 6.270 0.989 597 HG21 VAL 75 3HG2 VAL 75 31.428 4.987 2.010 598 HG22 VAL 75 1HG2 VAL 75 31.303 6.359 3.111 599 HG23 VAL 75 2HG2 VAL 75 30.158 5.022 3.234 600 H GLY 76 H GLY 76 30.586 8.418 -0.586 601 HA2 GLY 76 1HA GLY 76 28.046 9.105 -1.535 602 HA3 GLY 76 2HA GLY 76 29.539 9.929 -1.959 603 H ARG 77 H ARG 77 30.847 7.804 -3.266 604 HA ARG 77 HA ARG 77 29.899 8.090 -5.868 605 HB2 ARG 77 1HB ARG 77 31.854 6.281 -4.532 606 HB3 ARG 77 2HB ARG 77 31.333 5.869 -6.160 607 HG2 ARG 77 1HG ARG 77 31.940 8.333 -6.701 608 HG3 ARG 77 2HG ARG 77 32.883 8.236 -5.213 609 HD2 ARG 77 1HD ARG 77 34.422 7.618 -6.832 610 HD3 ARG 77 2HD ARG 77 33.836 6.064 -6.240 611 HE ARG 77 HE ARG 77 32.227 6.735 -8.382 612 HH11 ARG 77 2HH1 ARG 77 35.607 6.122 -7.818 613 HH12 ARG 77 1HH1 ARG 77 35.897 5.513 -9.414 614 HH21 ARG 77 2HH2 ARG 77 32.596 5.935 -10.486 615 HH22 ARG 77 1HH2 ARG 77 34.183 5.407 -10.931 616 H ASN 78 H ASN 78 29.191 5.664 -3.436 617 HA ASN 78 HA ASN 78 27.952 3.762 -5.094 618 HB2 ASN 78 1HB ASN 78 28.202 4.267 -2.236 619 HB3 ASN 78 2HB ASN 78 26.627 3.597 -2.655 620 HD21 ASN 78 2HD2 ASN 78 29.687 2.832 -1.778 621 HD22 ASN 78 1HD2 ASN 78 29.770 1.215 -2.383 622 H VAL 79 H VAL 79 26.803 6.739 -3.670 623 HA VAL 79 HA VAL 79 24.079 6.202 -4.613 624 HB VAL 79 HB VAL 79 23.416 8.185 -3.341 625 HG11 VAL 79 1HG1 VAL 79 23.339 6.110 -2.162 626 HG12 VAL 79 2HG1 VAL 79 25.071 6.172 -1.828 627 HG13 VAL 79 3HG1 VAL 79 23.982 7.328 -1.061 628 HG21 VAL 79 3HG2 VAL 79 25.615 9.370 -3.666 629 HG22 VAL 79 1HG2 VAL 79 24.933 9.471 -2.042 630 HG23 VAL 79 2HG2 VAL 79 26.263 8.361 -2.373 631 H GLY 80 H GLY 80 26.559 7.005 -6.232 632 HA2 GLY 80 1HA GLY 80 26.824 8.153 -8.214 633 HA3 GLY 80 2HA GLY 80 25.169 8.719 -8.049 634 H PHE 81 H PHE 81 26.807 9.413 -5.242 635 HA PHE 81 HA PHE 81 26.910 12.222 -5.906 636 HB2 PHE 81 1HB PHE 81 27.176 10.607 -3.407 637 HB3 PHE 81 2HB PHE 81 27.834 12.240 -3.425 638 HD1 PHE 81 HD2 PHE 81 24.774 10.941 -5.080 639 HD2 PHE 81 HD1 PHE 81 26.405 13.440 -2.045 640 HE1 PHE 81 HE2 PHE 81 22.531 11.845 -4.624 641 HE2 PHE 81 HE1 PHE 81 24.165 14.347 -1.583 642 HZ PHE 81 HZ PHE 81 22.225 13.550 -2.874 643 H ASP 82 H ASP 82 28.621 13.133 -6.810 644 HA ASP 82 HA ASP 82 31.219 11.835 -6.672 645 HB2 ASP 82 1HB ASP 82 31.899 13.561 -8.319 646 HB3 ASP 82 2HB ASP 82 30.490 12.642 -8.843 647 H ASP 83 H ASP 83 29.593 14.677 -5.458 648 HA ASP 83 HA ASP 83 32.070 15.740 -4.339 649 HB2 ASP 83 1HB ASP 83 30.577 17.357 -5.354 650 HB3 ASP 83 2HB ASP 83 29.243 16.815 -4.340 651 H GLN 84 H GLN 84 32.733 15.143 -2.395 652 HA GLN 84 HA GLN 84 31.267 13.494 -0.665 653 HB2 GLN 84 1HB GLN 84 33.654 13.466 -0.551 654 HB3 GLN 84 2HB GLN 84 33.720 15.190 -0.212 655 HG2 GLN 84 1HG GLN 84 32.625 14.787 1.951 656 HG3 GLN 84 2HG GLN 84 32.634 13.057 1.612 657 HE21 GLN 84 2HE2 GLN 84 34.521 15.817 2.499 658 HE22 GLN 84 1HE2 GLN 84 35.964 14.961 2.912 659 H LEU 85 H LEU 85 31.799 16.986 -0.666 660 HA LEU 85 HA LEU 85 30.545 17.502 1.816 661 HB2 LEU 85 1HB LEU 85 30.820 19.340 -0.557 662 HB3 LEU 85 2HB LEU 85 30.493 19.821 1.107 663 HG LEU 85 HG LEU 85 33.029 18.410 0.322 664 HD11 LEU 85 1HD1 LEU 85 32.895 21.371 0.657 665 HD12 LEU 85 2HD1 LEU 85 32.504 20.651 -0.905 666 HD13 LEU 85 3HD1 LEU 85 34.091 20.385 -0.184 667 HD21 LEU 85 3HD2 LEU 85 32.171 20.083 2.676 668 HD22 LEU 85 1HD2 LEU 85 33.838 19.597 2.372 669 HD23 LEU 85 2HD2 LEU 85 32.603 18.373 2.668 670 H TYR 86 H TYR 86 29.347 17.169 -1.457 671 HA TYR 86 HA TYR 86 26.804 18.297 -1.115 672 HB2 TYR 86 1HB TYR 86 27.654 17.798 -3.325 673 HB3 TYR 86 2HB TYR 86 27.725 16.079 -2.953 674 HD1 TYR 86 HD1 TYR 86 24.951 18.378 -2.093 675 HD2 TYR 86 HD2 TYR 86 26.289 15.235 -4.629 676 HE1 TYR 86 HE1 TYR 86 22.662 18.103 -2.950 677 HE2 TYR 86 HE2 TYR 86 24.004 14.952 -5.494 678 HH TYR 86 HH TYR 86 21.286 16.641 -4.089 679 H PHE 87 H PHE 87 27.977 14.997 -0.602 680 HA PHE 87 HA PHE 87 25.469 13.854 0.012 681 HB2 PHE 87 1HB PHE 87 27.288 12.408 -0.583 682 HB3 PHE 87 2HB PHE 87 28.284 13.027 0.730 683 HD1 PHE 87 HD2 PHE 87 25.107 11.209 0.081 684 HD2 PHE 87 HD1 PHE 87 28.334 11.924 2.762 685 HE1 PHE 87 HE2 PHE 87 24.284 9.411 1.545 686 HE2 PHE 87 HE1 PHE 87 27.517 10.126 4.230 687 HZ PHE 87 HZ PHE 87 25.489 8.868 3.623 688 H SER 88 H SER 88 28.048 15.161 2.072 689 HA SER 88 HA SER 88 26.770 14.619 4.531 690 HB2 SER 88 1HB SER 88 28.706 16.887 4.072 691 HB3 SER 88 2HB SER 88 28.461 15.941 5.540 692 HG SER 88 HG SER 88 29.806 14.506 4.808 693 H ARG 89 H ARG 89 26.687 17.377 2.345 694 HA ARG 89 HA ARG 89 25.342 19.177 4.034 695 HB2 ARG 89 1HB ARG 89 25.618 18.928 1.056 696 HB3 ARG 89 2HB ARG 89 24.554 20.144 1.750 697 HG2 ARG 89 1HG ARG 89 26.315 21.299 2.740 698 HG3 ARG 89 2HG ARG 89 27.412 19.923 2.610 699 HD2 ARG 89 1HD ARG 89 27.818 21.812 0.988 700 HD3 ARG 89 2HD ARG 89 27.645 20.209 0.274 701 HE ARG 89 HE ARG 89 25.175 21.652 0.371 702 HH11 ARG 89 2HH1 ARG 89 28.126 21.209 -1.422 703 HH12 ARG 89 1HH1 ARG 89 27.445 21.735 -2.926 704 HH21 ARG 89 2HH2 ARG 89 24.267 22.346 -1.603 705 HH22 ARG 89 1HH2 ARG 89 25.250 22.382 -3.027 706 H VAL 90 H VAL 90 24.078 16.982 1.529 707 HA VAL 90 HA VAL 90 21.349 17.587 2.062 708 HB VAL 90 HB VAL 90 22.564 15.209 0.649 709 HG11 VAL 90 1HG1 VAL 90 20.388 14.559 1.288 710 HG12 VAL 90 2HG1 VAL 90 19.718 16.147 0.908 711 HG13 VAL 90 3HG1 VAL 90 20.255 15.081 -0.391 712 HG21 VAL 90 3HG2 VAL 90 21.510 16.628 -1.323 713 HG22 VAL 90 1HG2 VAL 90 21.802 17.953 -0.197 714 HG23 VAL 90 2HG2 VAL 90 23.142 16.937 -0.728 715 H PHE 91 H PHE 91 23.476 14.897 2.976 716 HA PHE 91 HA PHE 91 21.558 13.378 4.346 717 HB2 PHE 91 1HB PHE 91 23.646 12.361 3.758 718 HB3 PHE 91 2HB PHE 91 24.555 13.564 4.666 719 HD1 PHE 91 HD1 PHE 91 24.666 13.471 7.092 720 HD2 PHE 91 HD2 PHE 91 22.570 10.516 4.859 721 HE1 PHE 91 HE1 PHE 91 24.632 12.007 9.069 722 HE2 PHE 91 HE2 PHE 91 22.532 9.047 6.832 723 HZ PHE 91 HZ PHE 91 23.563 9.792 8.941 724 H LYS 92 H LYS 92 23.577 16.065 5.364 725 HA LYS 92 HA LYS 92 23.236 15.900 8.125 726 HB2 LYS 92 1HB LYS 92 24.840 17.429 7.211 727 HB3 LYS 92 2HB LYS 92 23.594 18.294 6.320 728 HG2 LYS 92 1HG LYS 92 22.656 19.152 8.358 729 HG3 LYS 92 2HG LYS 92 23.762 18.172 9.324 730 HD2 LYS 92 1HD LYS 92 25.592 19.487 8.800 731 HD3 LYS 92 2HD LYS 92 24.853 20.106 7.322 732 HE2 LYS 92 1HE LYS 92 23.433 21.558 8.526 733 HE3 LYS 92 2HE LYS 92 23.777 20.751 10.055 734 HZ1 LYS 92 3HZ LYS 92 24.960 23.003 9.279 735 HZ2 LYS 92 1HZ LYS 92 26.072 21.876 8.681 736 HZ3 LYS 92 2HZ LYS 92 25.681 21.887 10.327 737 H LYS 93 H LYS 93 21.268 17.613 5.711 738 HA LYS 93 HA LYS 93 19.344 18.488 7.648 739 HB2 LYS 93 1HB LYS 93 19.170 18.413 4.629 740 HB3 LYS 93 2HB LYS 93 18.063 19.266 5.697 741 HG2 LYS 93 1HG LYS 93 19.456 20.997 5.961 742 HG3 LYS 93 2HG LYS 93 20.881 19.963 6.079 743 HD2 LYS 93 1HD LYS 93 21.372 20.878 4.073 744 HD3 LYS 93 2HD LYS 93 20.270 19.635 3.474 745 HE2 LYS 93 1HE LYS 93 19.636 22.524 4.052 746 HE3 LYS 93 2HE LYS 93 19.663 21.729 2.479 747 HZ1 LYS 93 3HZ LYS 93 17.697 21.416 4.661 748 HZ2 LYS 93 1HZ LYS 93 17.855 20.246 3.450 749 HZ3 LYS 93 2HZ LYS 93 17.424 21.830 3.044 750 H CYS 94 H CYS 94 19.771 15.688 5.657 751 HA CYS 94 HA CYS 94 17.138 14.760 5.495 752 HB2 CYS 94 1HB CYS 94 19.834 13.502 5.341 753 HB3 CYS 94 2HB CYS 94 18.448 12.440 5.549 754 HG CYS 94 HG CYS 94 19.150 14.484 2.915 755 H THR 95 H THR 95 19.646 14.057 7.919 756 HA THR 95 HA THR 95 17.576 12.894 9.649 757 HB THR 95 HB THR 95 19.480 11.999 10.984 758 HG1 THR 95 HG1 THR 95 21.416 12.723 10.564 759 HG21 THR 95 3HG2 THR 95 18.417 10.612 9.278 760 HG22 THR 95 1HG2 THR 95 20.146 10.279 9.362 761 HG23 THR 95 2HG2 THR 95 19.501 11.269 8.053 762 H GLY 96 H GLY 96 19.350 15.717 9.192 763 HA2 GLY 96 1HA GLY 96 18.971 17.679 10.463 764 HA3 GLY 96 2HA GLY 96 18.537 16.674 11.838 765 H ALA 97 H ALA 97 21.154 15.156 10.836 766 HA ALA 97 HA ALA 97 23.097 16.986 12.053 767 HB1 ALA 97 1HB ALA 97 23.228 14.128 12.858 768 HB2 ALA 97 2HB ALA 97 23.741 15.575 13.727 769 HB3 ALA 97 3HB ALA 97 22.029 15.162 13.635 770 H SER 98 H SER 98 25.246 16.656 11.429 771 HA SER 98 HA SER 98 25.620 15.671 8.812 772 HB2 SER 98 1HB SER 98 28.164 15.836 9.871 773 HB3 SER 98 2HB SER 98 27.285 17.161 9.109 774 HG SER 98 HG SER 98 27.898 17.889 11.095 775 HA PRO 99 HA PRO 99 26.685 11.443 9.292 776 HB2 PRO 99 1HB PRO 99 28.791 11.152 7.605 777 HB3 PRO 99 2HB PRO 99 27.133 11.388 7.040 778 HG2 PRO 99 1HG PRO 99 29.348 13.385 7.298 779 HG3 PRO 99 2HG PRO 99 28.181 13.174 5.981 780 HD2 PRO 99 1HD PRO 99 27.909 15.089 7.875 781 HD3 PRO 99 2HD PRO 99 26.516 14.301 7.107 782 H SER 100 H SER 100 29.349 13.728 9.629 783 HA SER 100 HA SER 100 31.191 11.924 10.802 784 HB2 SER 100 1HB SER 100 31.114 14.910 11.253 785 HB3 SER 100 2HB SER 100 32.518 13.845 11.310 786 HG SER 100 HG SER 100 32.468 13.649 9.126 787 H GLU 101 H GLU 101 28.644 13.957 12.094 788 HA GLU 101 HA GLU 101 29.397 13.624 14.834 789 HB2 GLU 101 1HB GLU 101 28.056 15.547 13.972 790 HB3 GLU 101 2HB GLU 101 26.713 14.442 13.711 791 HG2 GLU 101 1HG GLU 101 26.108 14.516 15.846 792 HG3 GLU 101 2HG GLU 101 27.761 14.273 16.407 793 H PHE 102 H PHE 102 26.884 12.205 12.760 794 HA PHE 102 HA PHE 102 25.745 10.533 14.706 795 HB2 PHE 102 1HB PHE 102 24.837 11.133 12.386 796 HB3 PHE 102 2HB PHE 102 25.884 9.857 11.772 797 HD1 PHE 102 HD1 PHE 102 23.562 10.214 14.676 798 HD2 PHE 102 HD2 PHE 102 24.746 7.936 11.281 799 HE1 PHE 102 HE1 PHE 102 21.824 8.550 15.191 800 HE2 PHE 102 HE2 PHE 102 23.010 6.269 11.790 801 HZ PHE 102 HZ PHE 102 21.546 6.574 13.746 802 H ARG 103 H ARG 103 28.314 9.929 12.335 803 HA ARG 103 HA ARG 103 28.711 7.214 12.970 804 HB2 ARG 103 1HB ARG 103 29.549 8.388 10.916 805 HB3 ARG 103 2HB ARG 103 30.780 9.146 11.917 806 HG2 ARG 103 1HG ARG 103 31.551 6.835 12.535 807 HG3 ARG 103 2HG ARG 103 30.462 6.225 11.288 808 HD2 ARG 103 1HD ARG 103 32.617 6.406 10.304 809 HD3 ARG 103 2HD ARG 103 31.642 7.727 9.661 810 HE ARG 103 HE ARG 103 33.074 9.208 10.650 811 HH11 ARG 103 2HH1 ARG 103 33.519 6.071 12.094 812 HH12 ARG 103 1HH1 ARG 103 34.899 6.552 13.025 813 HH21 ARG 103 2HH2 ARG 103 34.890 9.852 11.871 814 HH22 ARG 103 1HH2 ARG 103 35.677 8.703 12.898 815 H ALA 104 H ALA 104 29.867 10.169 14.419 816 HA ALA 104 HA ALA 104 31.907 8.917 16.002 817 HB1 ALA 104 1HB ALA 104 30.867 11.628 15.610 818 HB2 ALA 104 2HB ALA 104 31.431 11.289 17.246 819 HB3 ALA 104 3HB ALA 104 32.519 11.070 15.876 820 H GLY 105 H GLY 105 28.541 9.835 16.463 821 HA2 GLY 105 1HA GLY 105 27.055 8.874 17.989 822 HA3 GLY 105 2HA GLY 105 28.418 8.129 18.812 823 H CYS 106 H CYS 106 28.915 11.416 18.206 824 HA CYS 106 HA CYS 106 28.926 12.052 20.977 825 HB2 CYS 106 1HB CYS 106 30.349 13.079 19.092 826 HB3 CYS 106 2HB CYS 106 28.945 14.085 18.756 827 HG CYS 106 HG CYS 106 31.034 15.366 20.322 828 H GLU 107 H GLU 107 27.332 12.758 22.232 829 HA GLU 107 HA GLU 107 24.793 13.504 20.967 830 HB2 GLU 107 1HB GLU 107 23.762 13.028 23.125 831 HB3 GLU 107 2HB GLU 107 24.722 11.657 22.586 832 HG2 GLU 107 1HG GLU 107 25.376 11.743 24.754 833 HG3 GLU 107 2HG GLU 107 26.578 12.822 24.049 Start of MODEL 5 1 H1 MET 1 H MET 1 2.739 -0.880 1.083 2 HA MET 1 HA MET 1 2.456 0.670 -1.191 3 HB2 MET 1 1HB MET 1 4.511 -0.690 -0.048 4 HB3 MET 1 2HB MET 1 4.228 -1.673 -1.478 5 HG2 MET 1 1HG MET 1 4.935 -0.061 -2.901 6 HG3 MET 1 2HG MET 1 4.376 1.253 -1.868 7 HE1 MET 1 3HE MET 1 7.556 2.614 -0.649 8 HE2 MET 1 1HE MET 1 6.323 2.829 -1.892 9 HE3 MET 1 2HE MET 1 5.847 2.544 -0.218 10 H ASP 2 H ASP 2 1.544 0.402 -3.132 11 HA ASP 2 HA ASP 2 -0.026 -1.956 -3.632 12 HB2 ASP 2 1HB ASP 2 0.260 0.734 -4.833 13 HB3 ASP 2 2HB ASP 2 -0.226 -0.550 -5.937 14 H ASN 3 H ASN 3 0.191 -3.399 -5.361 15 HA ASN 3 HA ASN 3 2.740 -4.321 -5.927 16 HB2 ASN 3 1HB ASN 3 0.122 -4.715 -7.373 17 HB3 ASN 3 2HB ASN 3 1.599 -5.542 -7.858 18 HD21 ASN 3 2HD2 ASN 3 2.733 -6.700 -6.035 19 HD22 ASN 3 1HD2 ASN 3 1.730 -7.585 -4.941 20 H ARG 4 H ARG 4 0.647 -2.236 -7.891 21 HA ARG 4 HA ARG 4 2.413 -2.028 -10.089 22 HB2 ARG 4 1HB ARG 4 0.181 -0.226 -9.143 23 HB3 ARG 4 2HB ARG 4 1.042 0.002 -10.659 24 HG2 ARG 4 1HG ARG 4 0.046 -1.783 -11.658 25 HG3 ARG 4 2HG ARG 4 -0.160 -2.659 -10.139 26 HD2 ARG 4 1HD ARG 4 -1.713 -0.184 -10.875 27 HD3 ARG 4 2HD ARG 4 -2.283 -1.824 -11.181 28 HE ARG 4 HE ARG 4 -1.566 -1.487 -8.456 29 HH11 ARG 4 2HH1 ARG 4 -4.052 -0.733 -10.774 30 HH12 ARG 4 1HH1 ARG 4 -5.312 -0.643 -9.588 31 HH21 ARG 4 2HH2 ARG 4 -3.217 -1.371 -6.886 32 HH22 ARG 4 1HH2 ARG 4 -4.836 -1.006 -7.377 33 H VAL 5 H VAL 5 1.834 0.092 -7.295 34 HA VAL 5 HA VAL 5 3.642 2.114 -7.982 35 HB VAL 5 HB VAL 5 2.842 1.197 -5.216 36 HG11 VAL 5 1HG1 VAL 5 4.761 3.111 -6.043 37 HG12 VAL 5 2HG1 VAL 5 3.382 3.983 -5.371 38 HG13 VAL 5 3HG1 VAL 5 4.202 2.752 -4.409 39 HG21 VAL 5 3HG2 VAL 5 0.953 1.812 -6.704 40 HG22 VAL 5 1HG2 VAL 5 1.130 2.887 -5.317 41 HG23 VAL 5 2HG2 VAL 5 1.680 3.405 -6.911 42 H ARG 6 H ARG 6 4.107 -0.911 -6.220 43 HA ARG 6 HA ARG 6 6.742 -0.441 -5.358 44 HB2 ARG 6 1HB ARG 6 4.987 -2.363 -4.823 45 HB3 ARG 6 2HB ARG 6 5.890 -3.205 -6.076 46 HG2 ARG 6 1HG ARG 6 7.574 -3.633 -4.695 47 HG3 ARG 6 2HG ARG 6 7.651 -1.955 -4.155 48 HD2 ARG 6 1HD ARG 6 6.320 -2.330 -2.351 49 HD3 ARG 6 2HD ARG 6 5.386 -3.583 -3.167 50 HE ARG 6 HE ARG 6 7.660 -3.964 -1.502 51 HH11 ARG 6 2HH1 ARG 6 6.016 -5.223 -4.300 52 HH12 ARG 6 1HH1 ARG 6 6.624 -6.832 -4.095 53 HH21 ARG 6 2HH2 ARG 6 8.467 -6.079 -1.221 54 HH22 ARG 6 1HH2 ARG 6 8.017 -7.318 -2.343 55 H GLU 7 H GLU 7 5.430 -1.659 -8.378 56 HA GLU 7 HA GLU 7 7.809 -2.661 -9.488 57 HB2 GLU 7 1HB GLU 7 5.130 -1.956 -10.447 58 HB3 GLU 7 2HB GLU 7 6.387 -1.757 -11.659 59 HG2 GLU 7 1HG GLU 7 5.734 -4.265 -10.133 60 HG3 GLU 7 2HG GLU 7 5.432 -3.951 -11.841 61 H ALA 8 H ALA 8 6.291 0.541 -9.748 62 HA ALA 8 HA ALA 8 8.160 1.704 -11.473 63 HB1 ALA 8 1HB ALA 8 6.028 2.640 -9.708 64 HB2 ALA 8 2HB ALA 8 7.332 3.806 -9.934 65 HB3 ALA 8 3HB ALA 8 6.471 3.164 -11.332 66 H CYS 9 H CYS 9 8.176 1.297 -7.979 67 HA CYS 9 HA CYS 9 10.292 3.016 -7.351 68 HB2 CYS 9 1HB CYS 9 9.354 0.468 -6.026 69 HB3 CYS 9 2HB CYS 9 10.585 1.520 -5.338 70 HG CYS 9 HG CYS 9 8.838 2.810 -3.976 71 H GLN 10 H GLN 10 10.264 -0.289 -8.538 72 HA GLN 10 HA GLN 10 12.967 -0.908 -8.084 73 HB2 GLN 10 1HB GLN 10 11.158 -2.533 -8.708 74 HB3 GLN 10 2HB GLN 10 11.248 -1.919 -10.353 75 HG2 GLN 10 1HG GLN 10 12.599 -3.744 -10.520 76 HG3 GLN 10 2HG GLN 10 13.787 -2.509 -10.105 77 HE21 GLN 10 2HE2 GLN 10 14.956 -4.533 -9.497 78 HE22 GLN 10 1HE2 GLN 10 14.757 -5.108 -7.880 79 H TYR 11 H TYR 11 11.339 0.658 -10.798 80 HA TYR 11 HA TYR 11 13.626 0.777 -12.478 81 HB2 TYR 11 1HB TYR 11 11.492 0.973 -13.516 82 HB3 TYR 11 2HB TYR 11 11.020 2.297 -12.458 83 HD1 TYR 11 HD1 TYR 11 13.516 1.418 -15.085 84 HD2 TYR 11 HD2 TYR 11 11.271 4.492 -13.183 85 HE1 TYR 11 HE1 TYR 11 14.319 3.032 -16.758 86 HE2 TYR 11 HE2 TYR 11 12.068 6.114 -14.852 87 HH TYR 11 HH TYR 11 13.598 5.201 -17.719 88 H ILE 12 H ILE 12 12.106 3.113 -10.281 89 HA ILE 12 HA ILE 12 13.864 5.249 -10.794 90 HB ILE 12 HB ILE 12 12.343 4.660 -8.251 91 HG12 ILE 12 1HG1 ILE 12 11.535 6.517 -10.486 92 HG13 ILE 12 2HG1 ILE 12 11.031 4.831 -10.439 93 HG21 ILE 12 1HG2 ILE 12 12.533 7.066 -7.833 94 HG22 ILE 12 2HG2 ILE 12 14.114 6.290 -7.908 95 HG23 ILE 12 3HG2 ILE 12 13.530 7.234 -9.279 96 HD11 ILE 12 3HD1 ILE 12 9.393 6.519 -9.544 97 HD12 ILE 12 1HD1 ILE 12 9.770 5.163 -8.481 98 HD13 ILE 12 2HD1 ILE 12 10.500 6.743 -8.189 99 H SER 13 H SER 13 14.031 2.535 -8.564 100 HA SER 13 HA SER 13 16.223 3.464 -7.039 101 HB2 SER 13 1HB SER 13 16.313 1.289 -6.105 102 HB3 SER 13 2HB SER 13 14.610 1.555 -6.478 103 HG SER 13 HG SER 13 16.424 -0.205 -7.609 104 H ASP 14 H ASP 14 16.005 1.411 -9.915 105 HA ASP 14 HA ASP 14 18.775 0.844 -10.087 106 HB2 ASP 14 1HB ASP 14 16.469 0.660 -11.999 107 HB3 ASP 14 2HB ASP 14 18.114 0.401 -12.573 108 H HIS 15 H HIS 15 16.795 3.501 -11.171 109 HA HIS 15 HA HIS 15 19.002 4.629 -12.722 110 HB2 HIS 15 1HB HIS 15 16.073 5.219 -12.501 111 HB3 HIS 15 2HB HIS 15 17.165 6.465 -13.100 112 HD1 HIS 15 HD1 HIS 15 16.617 6.492 -15.535 113 HD2 HIS 15 HD2 HIS 15 17.293 2.648 -14.110 114 HE1 HIS 15 HE1 HIS 15 16.620 5.012 -17.568 115 H LEU 16 H LEU 16 18.727 4.432 -9.672 116 HA LEU 16 HA LEU 16 18.413 7.016 -8.616 117 HB2 LEU 16 1HB LEU 16 18.453 4.837 -7.355 118 HB3 LEU 16 2HB LEU 16 20.208 4.863 -7.518 119 HG LEU 16 HG LEU 16 19.920 7.232 -6.372 120 HD11 LEU 16 1HD1 LEU 16 17.985 6.296 -4.575 121 HD12 LEU 16 2HD1 LEU 16 17.299 6.085 -6.185 122 HD13 LEU 16 3HD1 LEU 16 17.865 7.673 -5.670 123 HD21 LEU 16 3HD2 LEU 16 19.732 4.664 -4.802 124 HD22 LEU 16 1HD2 LEU 16 20.422 6.195 -4.263 125 HD23 LEU 16 2HD2 LEU 16 21.209 5.277 -5.548 126 H ALA 17 H ALA 17 21.042 5.507 -10.284 127 HA ALA 17 HA ALA 17 22.944 7.559 -9.468 128 HB1 ALA 17 1HB ALA 17 24.200 6.061 -11.394 129 HB2 ALA 17 2HB ALA 17 24.281 5.779 -9.655 130 HB3 ALA 17 3HB ALA 17 23.114 4.895 -10.638 131 H ASP 18 H ASP 18 20.768 6.869 -12.033 132 HA ASP 18 HA ASP 18 22.026 8.222 -14.153 133 HB2 ASP 18 1HB ASP 18 19.211 7.431 -13.530 134 HB3 ASP 18 2HB ASP 18 19.503 8.545 -14.863 135 H SER 19 H SER 19 21.826 10.318 -14.932 136 HA SER 19 HA SER 19 21.332 12.316 -12.889 137 HB2 SER 19 1HB SER 19 23.321 12.346 -14.478 138 HB3 SER 19 2HB SER 19 22.185 12.816 -15.743 139 HG SER 19 HG SER 19 22.414 14.765 -15.022 140 H ASN 20 H ASN 20 20.182 11.644 -16.191 141 HA ASN 20 HA ASN 20 18.089 13.616 -15.978 142 HB2 ASN 20 1HB ASN 20 18.724 11.560 -18.103 143 HB3 ASN 20 2HB ASN 20 17.417 12.734 -18.229 144 HD21 ASN 20 2HD2 ASN 20 17.888 14.874 -18.611 145 HD22 ASN 20 1HD2 ASN 20 19.459 15.415 -19.085 146 H PHE 21 H PHE 21 16.415 13.191 -14.690 147 HA PHE 21 HA PHE 21 15.290 10.471 -14.703 148 HB2 PHE 21 1HB PHE 21 16.096 11.308 -12.503 149 HB3 PHE 21 2HB PHE 21 14.936 12.628 -12.612 150 HD1 PHE 21 HD2 PHE 21 14.880 8.918 -13.044 151 HD2 PHE 21 HD1 PHE 21 13.067 12.364 -11.326 152 HE1 PHE 21 HE2 PHE 21 13.167 7.492 -12.000 153 HE2 PHE 21 HE1 PHE 21 11.352 10.944 -10.278 154 HZ PHE 21 HZ PHE 21 11.400 8.505 -10.616 155 H ASP 22 H ASP 22 13.495 10.236 -15.842 156 HA ASP 22 HA ASP 22 11.690 12.549 -16.121 157 HB2 ASP 22 1HB ASP 22 12.803 11.801 -18.233 158 HB3 ASP 22 2HB ASP 22 12.000 10.244 -18.053 159 H ILE 23 H ILE 23 9.884 12.333 -14.994 160 HA ILE 23 HA ILE 23 9.042 10.002 -13.714 161 HB ILE 23 HB ILE 23 8.333 12.320 -13.108 162 HG12 ILE 23 1HG1 ILE 23 6.072 10.358 -13.553 163 HG13 ILE 23 2HG1 ILE 23 7.204 10.312 -12.205 164 HG21 ILE 23 1HG2 ILE 23 6.576 13.420 -14.270 165 HG22 ILE 23 2HG2 ILE 23 7.785 12.968 -15.470 166 HG23 ILE 23 3HG2 ILE 23 6.305 12.023 -15.312 167 HD11 ILE 23 3HD1 ILE 23 5.132 11.291 -11.493 168 HD12 ILE 23 1HD1 ILE 23 6.389 12.527 -11.497 169 HD13 ILE 23 2HD1 ILE 23 5.200 12.475 -12.798 170 H ALA 24 H ALA 24 8.528 11.100 -16.951 171 HA ALA 24 HA ALA 24 6.188 9.721 -17.618 172 HB1 ALA 24 1HB ALA 24 6.664 11.031 -19.372 173 HB2 ALA 24 2HB ALA 24 8.401 10.976 -19.067 174 HB3 ALA 24 3HB ALA 24 7.616 9.659 -19.939 175 H SER 25 H SER 25 9.581 8.688 -17.751 176 HA SER 25 HA SER 25 9.107 6.154 -18.885 177 HB2 SER 25 1HB SER 25 11.368 5.588 -18.076 178 HB3 SER 25 2HB SER 25 11.336 7.174 -18.847 179 HG SER 25 HG SER 25 12.296 7.716 -17.037 180 H VAL 26 H VAL 26 8.892 7.349 -15.621 181 HA VAL 26 HA VAL 26 8.960 4.874 -14.262 182 HB VAL 26 HB VAL 26 7.591 7.445 -13.457 183 HG11 VAL 26 1HG1 VAL 26 7.702 6.564 -11.178 184 HG12 VAL 26 2HG1 VAL 26 6.727 5.526 -12.221 185 HG13 VAL 26 3HG1 VAL 26 8.372 5.054 -11.793 186 HG21 VAL 26 3HG2 VAL 26 10.357 6.373 -12.930 187 HG22 VAL 26 1HG2 VAL 26 9.917 7.857 -13.776 188 HG23 VAL 26 2HG2 VAL 26 9.643 7.718 -12.040 189 H ALA 27 H ALA 27 6.236 6.870 -15.387 190 HA ALA 27 HA ALA 27 4.220 5.074 -14.532 191 HB1 ALA 27 1HB ALA 27 4.313 7.633 -15.655 192 HB2 ALA 27 2HB ALA 27 3.384 6.648 -16.787 193 HB3 ALA 27 3HB ALA 27 2.887 6.756 -15.098 194 H GLN 28 H GLN 28 6.052 5.409 -17.511 195 HA GLN 28 HA GLN 28 4.480 3.705 -19.116 196 HB2 GLN 28 1HB GLN 28 6.107 5.226 -20.092 197 HB3 GLN 28 2HB GLN 28 7.421 4.380 -19.285 198 HG2 GLN 28 1HG GLN 28 7.332 3.754 -21.609 199 HG3 GLN 28 2HG GLN 28 6.920 2.372 -20.596 200 HE21 GLN 28 2HE2 GLN 28 5.835 1.343 -22.267 201 HE22 GLN 28 1HE2 GLN 28 4.293 1.876 -22.832 202 H HIS 29 H HIS 29 7.151 3.104 -16.905 203 HA HIS 29 HA HIS 29 7.666 0.435 -17.594 204 HB2 HIS 29 1HB HIS 29 9.250 1.552 -16.218 205 HB3 HIS 29 2HB HIS 29 8.028 1.964 -15.019 206 HD1 HIS 29 HD1 HIS 29 8.611 -1.483 -16.467 207 HD2 HIS 29 HD2 HIS 29 9.025 0.576 -12.882 208 HE1 HIS 29 HE1 HIS 29 9.221 -3.224 -14.758 209 H VAL 30 H VAL 30 5.250 1.879 -15.498 210 HA VAL 30 HA VAL 30 4.299 -0.748 -14.649 211 HB VAL 30 HB VAL 30 2.721 0.505 -13.224 212 HG11 VAL 30 1HG1 VAL 30 5.659 0.862 -13.076 213 HG12 VAL 30 2HG1 VAL 30 4.669 1.804 -11.959 214 HG13 VAL 30 3HG1 VAL 30 4.558 0.044 -11.968 215 HG21 VAL 30 3HG2 VAL 30 4.139 3.020 -14.052 216 HG22 VAL 30 1HG2 VAL 30 2.654 2.483 -14.838 217 HG23 VAL 30 2HG2 VAL 30 2.657 2.849 -13.113 218 H CYS 31 H CYS 31 4.009 0.704 -17.404 219 HA CYS 31 HA CYS 31 2.457 0.888 -19.061 220 HB2 CYS 31 1HB CYS 31 1.124 -1.357 -17.533 221 HB3 CYS 31 2HB CYS 31 0.859 -0.953 -19.224 222 HG CYS 31 HG CYS 31 3.849 -1.375 -19.520 223 H LEU 32 H LEU 32 2.085 2.685 -16.919 224 HA LEU 32 HA LEU 32 -0.788 3.166 -17.191 225 HB2 LEU 32 1HB LEU 32 0.673 2.638 -14.696 226 HB3 LEU 32 2HB LEU 32 -0.372 4.056 -14.661 227 HG LEU 32 HG LEU 32 -1.244 1.239 -15.301 228 HD11 LEU 32 1HD1 LEU 32 -0.967 1.139 -13.039 229 HD12 LEU 32 2HD1 LEU 32 -2.594 1.813 -13.110 230 HD13 LEU 32 3HD1 LEU 32 -1.214 2.871 -12.817 231 HD21 LEU 32 3HD2 LEU 32 -2.758 3.835 -15.116 232 HD22 LEU 32 1HD2 LEU 32 -3.527 2.248 -15.080 233 HD23 LEU 32 2HD2 LEU 32 -2.624 2.759 -16.507 234 H SER 33 H SER 33 -1.377 5.413 -16.553 235 HA SER 33 HA SER 33 0.410 7.260 -17.787 236 HB2 SER 33 1HB SER 33 -2.282 7.453 -16.488 237 HB3 SER 33 2HB SER 33 -1.378 8.931 -16.819 238 HG SER 33 HG SER 33 -1.579 8.607 -18.929 239 HA PRO 34 HA PRO 34 2.707 8.823 -14.392 240 HB2 PRO 34 1HB PRO 34 2.883 11.462 -15.004 241 HB3 PRO 34 2HB PRO 34 3.766 10.211 -15.886 242 HG2 PRO 34 1HG PRO 34 1.213 11.595 -16.612 243 HG3 PRO 34 2HG PRO 34 2.602 11.197 -17.640 244 HD2 PRO 34 1HD PRO 34 0.336 9.715 -17.615 245 HD3 PRO 34 2HD PRO 34 1.938 9.006 -17.906 246 H SER 35 H SER 35 -0.176 10.732 -15.205 247 HA SER 35 HA SER 35 -0.363 12.049 -12.704 248 HB2 SER 35 1HB SER 35 -2.520 11.497 -14.757 249 HB3 SER 35 2HB SER 35 -2.647 12.645 -13.424 250 HG SER 35 HG SER 35 -0.489 12.859 -15.198 251 H ARG 36 H ARG 36 -1.983 9.180 -14.030 252 HA ARG 36 HA ARG 36 -3.570 8.657 -11.753 253 HB2 ARG 36 1HB ARG 36 -3.948 7.724 -14.050 254 HB3 ARG 36 2HB ARG 36 -2.580 6.651 -13.783 255 HG2 ARG 36 1HG ARG 36 -4.427 5.334 -13.292 256 HG3 ARG 36 2HG ARG 36 -3.855 5.859 -11.707 257 HD2 ARG 36 1HD ARG 36 -5.534 7.788 -11.973 258 HD3 ARG 36 2HD ARG 36 -6.237 6.811 -13.262 259 HE ARG 36 HE ARG 36 -6.530 6.403 -10.465 260 HH11 ARG 36 2HH1 ARG 36 -6.269 4.723 -13.503 261 HH12 ARG 36 1HH1 ARG 36 -7.149 3.333 -12.959 262 HH21 ARG 36 2HH2 ARG 36 -7.691 4.579 -9.737 263 HH22 ARG 36 1HH2 ARG 36 -7.959 3.253 -10.817 264 H LEU 37 H LEU 37 -0.390 7.478 -12.770 265 HA LEU 37 HA LEU 37 -0.055 5.671 -10.608 266 HB2 LEU 37 1HB LEU 37 1.226 5.388 -12.615 267 HB3 LEU 37 2HB LEU 37 1.926 6.997 -12.449 268 HG LEU 37 HG LEU 37 2.932 6.068 -10.249 269 HD11 LEU 37 1HD1 LEU 37 3.418 3.495 -10.972 270 HD12 LEU 37 2HD1 LEU 37 1.734 3.682 -11.458 271 HD13 LEU 37 3HD1 LEU 37 2.209 3.997 -9.790 272 HD21 LEU 37 3HD2 LEU 37 4.810 6.147 -11.432 273 HD22 LEU 37 1HD2 LEU 37 3.829 6.237 -12.895 274 HD23 LEU 37 2HD2 LEU 37 4.384 4.672 -12.301 275 H SER 38 H SER 38 1.021 9.002 -11.173 276 HA SER 38 HA SER 38 2.540 9.308 -8.842 277 HB2 SER 38 1HB SER 38 2.719 10.937 -10.605 278 HB3 SER 38 2HB SER 38 1.008 11.341 -10.476 279 HG SER 38 HG SER 38 2.677 12.741 -9.384 280 H HIS 39 H HIS 39 -0.907 9.751 -9.442 281 HA HIS 39 HA HIS 39 -1.608 10.955 -7.017 282 HB2 HIS 39 1HB HIS 39 -3.101 10.752 -9.001 283 HB3 HIS 39 2HB HIS 39 -3.287 9.037 -8.646 284 HD1 HIS 39 HD1 HIS 39 -4.661 12.320 -7.844 285 HD2 HIS 39 HD2 HIS 39 -4.639 8.544 -6.111 286 HE1 HIS 39 HE1 HIS 39 -6.510 12.351 -6.140 287 H LEU 40 H LEU 40 -1.570 7.514 -7.919 288 HA LEU 40 HA LEU 40 -2.327 6.613 -5.322 289 HB2 LEU 40 1HB LEU 40 -0.982 5.092 -7.551 290 HB3 LEU 40 2HB LEU 40 -1.790 4.389 -6.151 291 HG LEU 40 HG LEU 40 -3.147 5.987 -8.322 292 HD11 LEU 40 1HD1 LEU 40 -2.712 4.039 -9.425 293 HD12 LEU 40 2HD1 LEU 40 -4.203 3.585 -8.600 294 HD13 LEU 40 3HD1 LEU 40 -2.644 3.083 -7.945 295 HD21 LEU 40 3HD2 LEU 40 -4.141 4.593 -5.853 296 HD22 LEU 40 1HD2 LEU 40 -5.193 4.943 -7.225 297 HD23 LEU 40 2HD2 LEU 40 -4.406 6.262 -6.358 298 H PHE 41 H PHE 41 0.713 7.235 -6.933 299 HA PHE 41 HA PHE 41 2.454 5.836 -5.265 300 HB2 PHE 41 1HB PHE 41 2.749 7.467 -7.439 301 HB3 PHE 41 2HB PHE 41 3.430 8.465 -6.158 302 HD1 PHE 41 HD1 PHE 41 5.434 7.781 -4.978 303 HD2 PHE 41 HD2 PHE 41 3.807 5.414 -8.120 304 HE1 PHE 41 HE1 PHE 41 7.541 6.519 -5.114 305 HE2 PHE 41 HE2 PHE 41 5.912 4.147 -8.260 306 HZ PHE 41 HZ PHE 41 7.782 4.699 -6.756 307 H ARG 42 H ARG 42 1.320 9.199 -5.011 308 HA ARG 42 HA ARG 42 2.690 9.745 -2.591 309 HB2 ARG 42 1HB ARG 42 1.673 11.384 -4.325 310 HB3 ARG 42 2HB ARG 42 0.177 11.159 -3.428 311 HG2 ARG 42 1HG ARG 42 2.480 11.773 -1.740 312 HG3 ARG 42 2HG ARG 42 2.074 13.042 -2.897 313 HD2 ARG 42 1HD ARG 42 -0.131 11.794 -1.341 314 HD3 ARG 42 2HD ARG 42 0.944 12.915 -0.508 315 HE ARG 42 HE ARG 42 0.075 14.059 -2.931 316 HH11 ARG 42 2HH1 ARG 42 -1.093 13.213 0.238 317 HH12 ARG 42 1HH1 ARG 42 -2.306 14.450 0.263 318 HH21 ARG 42 2HH2 ARG 42 -1.519 15.691 -2.909 319 HH22 ARG 42 1HH2 ARG 42 -2.549 15.858 -1.528 320 H GLN 43 H GLN 43 -0.320 8.206 -3.332 321 HA GLN 43 HA GLN 43 -1.454 8.505 -0.710 322 HB2 GLN 43 1HB GLN 43 -2.188 6.957 -3.171 323 HB3 GLN 43 2HB GLN 43 -2.988 6.611 -1.643 324 HG2 GLN 43 1HG GLN 43 -3.475 9.125 -1.554 325 HG3 GLN 43 2HG GLN 43 -3.047 9.126 -3.264 326 HE21 GLN 43 2HE2 GLN 43 -5.609 9.442 -1.603 327 HE22 GLN 43 1HE2 GLN 43 -6.743 8.431 -2.425 328 H GLN 44 H GLN 44 0.283 5.977 -2.460 329 HA GLN 44 HA GLN 44 0.088 4.110 -0.270 330 HB2 GLN 44 1HB GLN 44 1.619 4.052 -2.871 331 HB3 GLN 44 2HB GLN 44 1.667 2.750 -1.690 332 HG2 GLN 44 1HG GLN 44 -0.805 3.747 -3.088 333 HG3 GLN 44 2HG GLN 44 0.104 2.298 -3.515 334 HE21 GLN 44 2HE2 GLN 44 -2.615 2.309 -2.851 335 HE22 GLN 44 1HE2 GLN 44 -2.821 1.424 -1.382 336 H LEU 45 H LEU 45 2.533 6.256 -1.634 337 HA LEU 45 HA LEU 45 4.503 5.418 0.331 338 HB2 LEU 45 1HB LEU 45 4.633 6.467 -2.240 339 HB3 LEU 45 2HB LEU 45 5.188 7.778 -1.202 340 HG LEU 45 HG LEU 45 6.366 5.039 -0.927 341 HD11 LEU 45 1HD1 LEU 45 7.200 7.126 -2.937 342 HD12 LEU 45 2HD1 LEU 45 6.507 5.546 -3.301 343 HD13 LEU 45 3HD1 LEU 45 8.095 5.659 -2.543 344 HD21 LEU 45 3HD2 LEU 45 8.117 6.123 0.122 345 HD22 LEU 45 1HD2 LEU 45 6.727 7.076 0.642 346 HD23 LEU 45 2HD2 LEU 45 7.766 7.668 -0.655 347 H GLY 46 H GLY 46 2.054 7.767 0.017 348 HA2 GLY 46 1HA GLY 46 1.348 9.413 1.458 349 HA3 GLY 46 2HA GLY 46 2.521 8.804 2.617 350 H ILE 47 H ILE 47 4.007 9.532 -0.301 351 HA ILE 47 HA ILE 47 4.463 12.338 0.311 352 HB ILE 47 HB ILE 47 6.856 12.176 0.434 353 HG12 ILE 47 1HG1 ILE 47 6.468 9.193 0.102 354 HG13 ILE 47 2HG1 ILE 47 7.189 10.283 -1.077 355 HG21 ILE 47 1HG2 ILE 47 5.636 11.925 2.527 356 HG22 ILE 47 2HG2 ILE 47 5.572 10.179 2.293 357 HG23 ILE 47 3HG2 ILE 47 7.123 10.977 2.552 358 HD11 ILE 47 3HD1 ILE 47 8.969 9.164 -0.026 359 HD12 ILE 47 1HD1 ILE 47 8.947 10.790 0.655 360 HD13 ILE 47 2HD1 ILE 47 8.293 9.438 1.580 361 H SER 48 H SER 48 6.091 13.264 -1.345 362 HA SER 48 HA SER 48 5.090 12.598 -3.951 363 HB2 SER 48 1HB SER 48 6.782 14.421 -4.643 364 HB3 SER 48 2HB SER 48 5.426 14.904 -3.623 365 HG SER 48 HG SER 48 7.829 15.446 -3.097 366 H VAL 49 H VAL 49 6.261 11.846 -5.729 367 HA VAL 49 HA VAL 49 8.027 9.755 -5.307 368 HB VAL 49 HB VAL 49 7.855 11.427 -7.817 369 HG11 VAL 49 1HG1 VAL 49 8.743 8.585 -7.343 370 HG12 VAL 49 2HG1 VAL 49 8.514 9.319 -8.931 371 HG13 VAL 49 3HG1 VAL 49 9.755 9.940 -7.842 372 HG21 VAL 49 3HG2 VAL 49 6.323 9.236 -8.285 373 HG22 VAL 49 1HG2 VAL 49 5.983 9.533 -6.580 374 HG23 VAL 49 2HG2 VAL 49 5.694 10.801 -7.771 375 H LEU 50 H LEU 50 8.731 13.127 -6.147 376 HA LEU 50 HA LEU 50 11.507 12.853 -6.452 377 HB2 LEU 50 1HB LEU 50 9.592 15.043 -6.110 378 HB3 LEU 50 2HB LEU 50 11.210 15.398 -5.508 379 HG LEU 50 HG LEU 50 12.149 14.961 -7.706 380 HD11 LEU 50 1HD1 LEU 50 10.973 13.402 -8.849 381 HD12 LEU 50 2HD1 LEU 50 10.214 14.835 -9.543 382 HD13 LEU 50 3HD1 LEU 50 9.417 13.961 -8.235 383 HD21 LEU 50 3HD2 LEU 50 11.067 17.201 -7.024 384 HD22 LEU 50 1HD2 LEU 50 9.802 16.762 -8.171 385 HD23 LEU 50 2HD2 LEU 50 11.468 16.937 -8.721 386 H SER 51 H SER 51 9.497 13.295 -3.616 387 HA SER 51 HA SER 51 11.642 13.880 -1.827 388 HB2 SER 51 1HB SER 51 9.426 14.600 -1.225 389 HB3 SER 51 2HB SER 51 8.803 12.955 -1.347 390 HG SER 51 HG SER 51 9.160 13.324 0.796 391 H TRP 52 H TRP 52 9.801 10.954 -2.608 392 HA TRP 52 HA TRP 52 10.974 9.242 -0.738 393 HB2 TRP 52 1HB TRP 52 8.990 8.569 -1.934 394 HB3 TRP 52 2HB TRP 52 9.836 8.660 -3.477 395 HD1 TRP 52 HD1 TRP 52 10.148 6.633 -0.174 396 HE1 TRP 52 HE1 TRP 52 10.875 4.241 -0.786 397 HE3 TRP 52 HE3 TRP 52 10.625 7.199 -5.232 398 HZ2 TRP 52 HZ2 TRP 52 11.560 2.786 -3.106 399 HZ3 TRP 52 HZ3 TRP 52 11.321 5.259 -6.576 400 HH2 TRP 52 HH2 TRP 52 11.778 3.099 -5.533 401 H ARG 53 H ARG 53 11.979 10.109 -4.015 402 HA ARG 53 HA ARG 53 14.087 8.277 -4.269 403 HB2 ARG 53 1HB ARG 53 13.123 9.619 -6.131 404 HB3 ARG 53 2HB ARG 53 13.910 11.045 -5.469 405 HG2 ARG 53 1HG ARG 53 16.097 9.858 -5.748 406 HG3 ARG 53 2HG ARG 53 15.221 8.595 -6.616 407 HD2 ARG 53 1HD ARG 53 15.938 9.938 -8.347 408 HD3 ARG 53 2HD ARG 53 14.325 10.580 -8.043 409 HE ARG 53 HE ARG 53 16.045 12.055 -6.470 410 HH11 ARG 53 2HH1 ARG 53 15.620 11.409 -9.865 411 HH12 ARG 53 1HH1 ARG 53 16.248 12.942 -10.369 412 HH21 ARG 53 2HH2 ARG 53 16.874 14.078 -7.122 413 HH22 ARG 53 1HH2 ARG 53 16.962 14.460 -8.808 414 H GLU 54 H GLU 54 14.068 11.630 -3.091 415 HA GLU 54 HA GLU 54 16.841 11.766 -2.564 416 HB2 GLU 54 1HB GLU 54 14.454 13.388 -1.922 417 HB3 GLU 54 2HB GLU 54 15.818 13.574 -0.829 418 HG2 GLU 54 1HG GLU 54 17.149 14.524 -2.420 419 HG3 GLU 54 2HG GLU 54 16.326 13.713 -3.751 420 H ASP 55 H ASP 55 14.057 11.056 -0.478 421 HA ASP 55 HA ASP 55 15.495 10.746 1.916 422 HB2 ASP 55 1HB ASP 55 12.796 10.398 1.025 423 HB3 ASP 55 2HB ASP 55 13.270 8.985 1.964 424 H GLN 56 H GLN 56 14.726 8.486 -0.672 425 HA GLN 56 HA GLN 56 15.589 6.142 0.648 426 HB2 GLN 56 1HB GLN 56 14.990 6.913 -2.161 427 HB3 GLN 56 2HB GLN 56 15.954 5.464 -1.911 428 HG2 GLN 56 1HG GLN 56 13.270 5.955 -0.645 429 HG3 GLN 56 2HG GLN 56 13.524 5.042 -2.131 430 HE21 GLN 56 2HE2 GLN 56 15.395 3.358 -1.809 431 HE22 GLN 56 1HE2 GLN 56 15.211 2.353 -0.417 432 H ARG 57 H ARG 57 17.243 8.499 -1.390 433 HA ARG 57 HA ARG 57 19.653 7.129 -1.750 434 HB2 ARG 57 1HB ARG 57 19.056 10.085 -1.607 435 HB3 ARG 57 2HB ARG 57 20.634 9.441 -2.040 436 HG2 ARG 57 1HG ARG 57 19.910 8.651 -4.070 437 HG3 ARG 57 2HG ARG 57 18.231 8.521 -3.540 438 HD2 ARG 57 1HD ARG 57 17.960 10.404 -4.740 439 HD3 ARG 57 2HD ARG 57 18.630 11.187 -3.308 440 HE ARG 57 HE ARG 57 20.554 11.632 -4.482 441 HH11 ARG 57 2HH1 ARG 57 18.602 9.360 -6.256 442 HH12 ARG 57 1HH1 ARG 57 19.565 9.454 -7.693 443 HH21 ARG 57 2HH2 ARG 57 21.830 11.766 -6.368 444 HH22 ARG 57 1HH2 ARG 57 21.401 10.823 -7.755 445 H ILE 58 H ILE 58 18.605 9.304 0.841 446 HA ILE 58 HA ILE 58 21.074 9.313 2.233 447 HB ILE 58 HB ILE 58 18.292 9.840 3.287 448 HG12 ILE 58 1HG1 ILE 58 18.892 11.354 1.469 449 HG13 ILE 58 2HG1 ILE 58 18.900 12.218 3.003 450 HG21 ILE 58 1HG2 ILE 58 20.810 9.621 4.625 451 HG22 ILE 58 2HG2 ILE 58 20.237 11.285 4.718 452 HG23 ILE 58 3HG2 ILE 58 19.218 9.968 5.299 453 HD11 ILE 58 3HD1 ILE 58 21.049 11.755 1.105 454 HD12 ILE 58 1HD1 ILE 58 20.888 12.978 2.365 455 HD13 ILE 58 2HD1 ILE 58 21.497 11.372 2.767 456 H SER 59 H SER 59 18.109 7.401 2.592 457 HA SER 59 HA SER 59 18.968 5.952 4.867 458 HB2 SER 59 1HB SER 59 16.664 5.868 4.561 459 HB3 SER 59 2HB SER 59 16.802 5.587 2.825 460 HG SER 59 HG SER 59 16.461 3.586 3.392 461 H GLN 60 H GLN 60 19.430 5.525 1.434 462 HA GLN 60 HA GLN 60 20.316 2.822 1.550 463 HB2 GLN 60 1HB GLN 60 19.485 4.222 -0.483 464 HB3 GLN 60 2HB GLN 60 21.162 4.742 -0.594 465 HG2 GLN 60 1HG GLN 60 21.187 2.963 -2.014 466 HG3 GLN 60 2HG GLN 60 21.641 2.169 -0.506 467 HE21 GLN 60 2HE2 GLN 60 20.444 0.527 0.196 468 HE22 GLN 60 1HE2 GLN 60 18.927 0.039 -0.473 469 H ALA 61 H ALA 61 21.984 5.949 1.480 470 HA ALA 61 HA ALA 61 24.607 5.030 1.334 471 HB1 ALA 61 1HB ALA 61 23.602 7.447 1.283 472 HB2 ALA 61 2HB ALA 61 23.970 7.413 3.008 473 HB3 ALA 61 3HB ALA 61 25.258 7.176 1.827 474 H LYS 62 H LYS 62 22.456 5.351 4.099 475 HA LYS 62 HA LYS 62 24.348 4.966 6.138 476 HB2 LYS 62 1HB LYS 62 21.385 4.527 5.942 477 HB3 LYS 62 2HB LYS 62 22.260 4.038 7.387 478 HG2 LYS 62 1HG LYS 62 23.096 6.369 7.597 479 HG3 LYS 62 2HG LYS 62 22.051 6.814 6.245 480 HD2 LYS 62 1HD LYS 62 20.156 5.775 7.646 481 HD3 LYS 62 2HD LYS 62 21.286 5.893 8.997 482 HE2 LYS 62 1HE LYS 62 20.018 7.868 9.086 483 HE3 LYS 62 2HE LYS 62 21.550 8.341 8.353 484 HZ1 LYS 62 3HZ LYS 62 19.030 7.777 6.887 485 HZ2 LYS 62 1HZ LYS 62 20.501 8.213 6.176 486 HZ3 LYS 62 2HZ LYS 62 19.687 9.309 7.174 487 H LEU 63 H LEU 63 22.457 2.672 4.231 488 HA LEU 63 HA LEU 63 23.145 0.347 5.654 489 HB2 LEU 63 1HB LEU 63 21.320 0.306 4.117 490 HB3 LEU 63 2HB LEU 63 22.364 0.779 2.779 491 HG LEU 63 HG LEU 63 23.523 -1.420 2.996 492 HD11 LEU 63 1HD1 LEU 63 22.909 -3.025 4.480 493 HD12 LEU 63 2HD1 LEU 63 21.237 -2.472 4.561 494 HD13 LEU 63 3HD1 LEU 63 22.495 -1.603 5.438 495 HD21 LEU 63 3HD2 LEU 63 20.558 -1.422 2.448 496 HD22 LEU 63 1HD2 LEU 63 21.657 -2.730 2.010 497 HD23 LEU 63 2HD2 LEU 63 21.857 -1.133 1.290 498 H LEU 64 H LEU 64 24.671 1.941 2.883 499 HA LEU 64 HA LEU 64 26.693 -0.026 2.528 500 HB2 LEU 64 1HB LEU 64 26.793 2.869 1.708 501 HB3 LEU 64 2HB LEU 64 27.721 1.535 1.026 502 HG LEU 64 HG LEU 64 24.826 1.174 0.822 503 HD11 LEU 64 1HD1 LEU 64 25.091 2.859 -1.266 504 HD12 LEU 64 2HD1 LEU 64 26.071 3.690 -0.058 505 HD13 LEU 64 3HD1 LEU 64 24.383 3.313 0.285 506 HD21 LEU 64 3HD2 LEU 64 25.840 1.045 -1.679 507 HD22 LEU 64 1HD2 LEU 64 25.847 -0.300 -0.538 508 HD23 LEU 64 2HD2 LEU 64 27.285 0.705 -0.725 509 H LEU 65 H LEU 65 26.595 3.103 4.190 510 HA LEU 65 HA LEU 65 29.314 3.094 4.984 511 HB2 LEU 65 1HB LEU 65 26.959 4.722 5.418 512 HB3 LEU 65 2HB LEU 65 27.927 4.576 6.883 513 HG LEU 65 HG LEU 65 28.969 5.544 4.222 514 HD11 LEU 65 1HD1 LEU 65 27.267 7.030 5.326 515 HD12 LEU 65 2HD1 LEU 65 28.857 7.751 5.074 516 HD13 LEU 65 3HD1 LEU 65 28.391 7.183 6.677 517 HD21 LEU 65 3HD2 LEU 65 30.648 4.484 5.676 518 HD22 LEU 65 1HD2 LEU 65 30.209 5.598 6.971 519 HD23 LEU 65 2HD2 LEU 65 30.926 6.215 5.482 520 H SER 66 H SER 66 26.467 1.580 6.239 521 HA SER 66 HA SER 66 27.714 0.992 8.804 522 HB2 SER 66 1HB SER 66 25.382 1.524 8.932 523 HB3 SER 66 2HB SER 66 24.986 0.369 7.660 524 HG SER 66 HG SER 66 26.076 -0.312 10.192 525 H THR 67 H THR 67 27.111 -0.500 5.737 526 HA THR 67 HA THR 67 27.804 -3.152 6.745 527 HB THR 67 HB THR 67 25.930 -2.727 5.042 528 HG1 THR 67 HG1 THR 67 26.622 -4.687 3.865 529 HG21 THR 67 3HG2 THR 67 26.389 -2.075 2.933 530 HG22 THR 67 1HG2 THR 67 27.894 -2.992 2.869 531 HG23 THR 67 2HG2 THR 67 27.857 -1.410 3.648 532 H THR 68 H THR 68 29.316 -0.448 5.407 533 HA THR 68 HA THR 68 31.704 -2.053 4.797 534 HB THR 68 HB THR 68 32.209 -0.877 2.844 535 HG1 THR 68 HG1 THR 68 31.758 1.180 2.671 536 HG21 THR 68 3HG2 THR 68 29.322 -0.671 2.330 537 HG22 THR 68 1HG2 THR 68 29.848 -2.224 2.978 538 HG23 THR 68 2HG2 THR 68 30.560 -1.603 1.489 539 H ARG 69 H ARG 69 33.679 -0.512 4.603 540 HA ARG 69 HA ARG 69 33.519 1.464 6.785 541 HB2 ARG 69 1HB ARG 69 35.878 0.899 7.297 542 HB3 ARG 69 2HB ARG 69 34.784 -0.458 7.524 543 HG2 ARG 69 1HG ARG 69 36.098 -0.225 4.885 544 HG3 ARG 69 2HG ARG 69 37.112 -0.676 6.258 545 HD2 ARG 69 1HD ARG 69 34.566 -2.064 5.425 546 HD3 ARG 69 2HD ARG 69 36.199 -2.636 5.088 547 HE ARG 69 HE ARG 69 36.165 -2.365 7.785 548 HH11 ARG 69 2HH1 ARG 69 34.125 -4.019 5.500 549 HH12 ARG 69 1HH1 ARG 69 33.679 -5.274 6.609 550 HH21 ARG 69 2HH2 ARG 69 35.586 -4.011 9.254 551 HH22 ARG 69 1HH2 ARG 69 34.510 -5.268 8.744 552 H MET 70 H MET 70 33.382 1.599 3.726 553 HA MET 70 HA MET 70 35.708 2.901 2.800 554 HB2 MET 70 1HB MET 70 32.867 3.162 1.800 555 HB3 MET 70 2HB MET 70 34.313 3.643 0.922 556 HG2 MET 70 1HG MET 70 35.059 1.317 0.880 557 HG3 MET 70 2HG MET 70 33.605 0.839 1.752 558 HE1 MET 70 3HE MET 70 31.225 0.567 0.644 559 HE2 MET 70 1HE MET 70 31.282 2.330 0.641 560 HE3 MET 70 2HE MET 70 30.774 1.462 -0.807 561 HA PRO 71 HA PRO 71 35.400 6.961 4.441 562 HB2 PRO 71 1HB PRO 71 36.445 8.427 2.410 563 HB3 PRO 71 2HB PRO 71 37.427 7.386 3.447 564 HG2 PRO 71 1HG PRO 71 36.343 6.851 0.708 565 HG3 PRO 71 2HG PRO 71 37.952 6.495 1.364 566 HD2 PRO 71 1HD PRO 71 36.020 4.611 1.141 567 HD3 PRO 71 2HD PRO 71 37.229 4.589 2.440 568 H ILE 72 H ILE 72 34.421 9.079 4.128 569 HA ILE 72 HA ILE 72 31.802 8.959 3.167 570 HB ILE 72 HB ILE 72 33.441 11.459 3.592 571 HG12 ILE 72 1HG1 ILE 72 31.736 9.894 5.542 572 HG13 ILE 72 2HG1 ILE 72 33.493 10.003 5.568 573 HG21 ILE 72 1HG2 ILE 72 31.343 12.582 3.905 574 HG22 ILE 72 2HG2 ILE 72 31.301 11.734 2.360 575 HG23 ILE 72 3HG2 ILE 72 30.458 11.064 3.756 576 HD11 ILE 72 3HD1 ILE 72 32.392 11.451 7.227 577 HD12 ILE 72 1HD1 ILE 72 33.386 12.347 6.077 578 HD13 ILE 72 2HD1 ILE 72 31.630 12.339 5.908 579 H ALA 73 H ALA 73 34.774 9.915 1.603 580 HA ALA 73 HA ALA 73 33.670 11.281 -0.602 581 HB1 ALA 73 1HB ALA 73 35.989 11.545 -0.129 582 HB2 ALA 73 2HB ALA 73 36.278 9.810 -0.277 583 HB3 ALA 73 3HB ALA 73 35.858 10.759 -1.703 584 H THR 74 H THR 74 34.630 7.885 -0.182 585 HA THR 74 HA THR 74 33.848 7.100 -2.806 586 HB THR 74 HB THR 74 34.291 5.405 -0.341 587 HG1 THR 74 HG1 THR 74 36.008 5.994 -2.543 588 HG21 THR 74 3HG2 THR 74 34.544 3.539 -1.898 589 HG22 THR 74 1HG2 THR 74 34.164 4.604 -3.251 590 HG23 THR 74 2HG2 THR 74 32.937 4.253 -2.034 591 H VAL 75 H VAL 75 32.297 6.981 0.368 592 HA VAL 75 HA VAL 75 30.069 5.443 -0.264 593 HB VAL 75 HB VAL 75 30.220 7.773 1.654 594 HG11 VAL 75 1HG1 VAL 75 28.302 6.735 2.763 595 HG12 VAL 75 2HG1 VAL 75 27.914 7.199 1.105 596 HG13 VAL 75 3HG1 VAL 75 28.233 5.509 1.498 597 HG21 VAL 75 3HG2 VAL 75 30.225 5.060 2.731 598 HG22 VAL 75 1HG2 VAL 75 31.634 5.425 1.734 599 HG23 VAL 75 2HG2 VAL 75 31.252 6.439 3.126 600 H GLY 76 H GLY 76 30.619 8.914 -0.682 601 HA2 GLY 76 1HA GLY 76 28.044 9.690 -1.410 602 HA3 GLY 76 2HA GLY 76 29.519 10.478 -1.950 603 H ARG 77 H ARG 77 30.627 8.322 -3.403 604 HA ARG 77 HA ARG 77 29.447 8.701 -5.905 605 HB2 ARG 77 1HB ARG 77 31.469 6.798 -4.805 606 HB3 ARG 77 2HB ARG 77 30.807 6.488 -6.405 607 HG2 ARG 77 1HG ARG 77 31.469 8.855 -6.994 608 HG3 ARG 77 2HG ARG 77 32.371 8.877 -5.477 609 HD2 ARG 77 1HD ARG 77 33.719 7.013 -6.202 610 HD3 ARG 77 2HD ARG 77 32.753 6.841 -7.667 611 HE ARG 77 HE ARG 77 33.960 9.430 -7.396 612 HH11 ARG 77 2HH1 ARG 77 34.443 6.157 -8.479 613 HH12 ARG 77 1HH1 ARG 77 35.681 6.578 -9.616 614 HH21 ARG 77 2HH2 ARG 77 35.589 9.997 -8.890 615 HH22 ARG 77 1HH2 ARG 77 36.333 8.762 -9.848 616 H ASN 78 H ASN 78 28.936 6.228 -3.469 617 HA ASN 78 HA ASN 78 27.515 4.379 -5.028 618 HB2 ASN 78 1HB ASN 78 27.351 5.001 -2.074 619 HB3 ASN 78 2HB ASN 78 26.556 3.625 -2.832 620 HD21 ASN 78 2HD2 ASN 78 29.658 5.098 -2.132 621 HD22 ASN 78 1HD2 ASN 78 30.584 3.643 -2.234 622 H VAL 79 H VAL 79 26.545 7.356 -3.476 623 HA VAL 79 HA VAL 79 23.741 6.878 -4.184 624 HB VAL 79 HB VAL 79 23.226 8.857 -2.843 625 HG11 VAL 79 1HG1 VAL 79 24.541 7.864 -0.674 626 HG12 VAL 79 2HG1 VAL 79 23.049 7.199 -1.341 627 HG13 VAL 79 3HG1 VAL 79 24.605 6.497 -1.786 628 HG21 VAL 79 3HG2 VAL 79 26.150 8.987 -2.137 629 HG22 VAL 79 1HG2 VAL 79 25.401 10.014 -3.359 630 HG23 VAL 79 2HG2 VAL 79 24.873 10.114 -1.679 631 H GLY 80 H GLY 80 26.113 7.678 -5.985 632 HA2 GLY 80 1HA GLY 80 26.224 8.835 -7.978 633 HA3 GLY 80 2HA GLY 80 24.592 9.414 -7.678 634 H PHE 81 H PHE 81 26.446 10.073 -5.003 635 HA PHE 81 HA PHE 81 26.531 12.885 -5.658 636 HB2 PHE 81 1HB PHE 81 26.958 11.254 -3.192 637 HB3 PHE 81 2HB PHE 81 27.629 12.881 -3.251 638 HD1 PHE 81 HD1 PHE 81 24.439 11.576 -4.645 639 HD2 PHE 81 HD2 PHE 81 26.321 14.134 -1.811 640 HE1 PHE 81 HE1 PHE 81 22.244 12.499 -4.025 641 HE2 PHE 81 HE2 PHE 81 24.130 15.060 -1.186 642 HZ PHE 81 HZ PHE 81 22.087 14.243 -2.293 643 H ASP 82 H ASP 82 28.183 13.784 -6.676 644 HA ASP 82 HA ASP 82 30.739 12.446 -6.842 645 HB2 ASP 82 1HB ASP 82 31.346 14.225 -8.398 646 HB3 ASP 82 2HB ASP 82 29.766 13.565 -8.813 647 H ASP 83 H ASP 83 29.347 15.184 -5.180 648 HA ASP 83 HA ASP 83 31.966 15.981 -4.148 649 HB2 ASP 83 1HB ASP 83 30.554 17.790 -4.940 650 HB3 ASP 83 2HB ASP 83 29.242 17.269 -3.886 651 H GLN 84 H GLN 84 32.671 15.158 -2.303 652 HA GLN 84 HA GLN 84 31.140 13.490 -0.640 653 HB2 GLN 84 1HB GLN 84 33.574 13.328 -0.774 654 HB3 GLN 84 2HB GLN 84 33.735 14.925 -0.055 655 HG2 GLN 84 1HG GLN 84 32.477 13.953 1.944 656 HG3 GLN 84 2HG GLN 84 32.819 12.379 1.228 657 HE21 GLN 84 2HE2 GLN 84 34.589 15.403 1.817 658 HE22 GLN 84 1HE2 GLN 84 35.982 14.651 2.508 659 H LEU 85 H LEU 85 32.032 16.898 -0.370 660 HA LEU 85 HA LEU 85 30.981 17.304 2.223 661 HB2 LEU 85 1HB LEU 85 31.494 19.207 -0.052 662 HB3 LEU 85 2HB LEU 85 30.979 19.722 1.553 663 HG LEU 85 HG LEU 85 33.520 18.184 1.049 664 HD11 LEU 85 1HD1 LEU 85 33.650 20.270 -0.174 665 HD12 LEU 85 2HD1 LEU 85 34.676 20.342 1.258 666 HD13 LEU 85 3HD1 LEU 85 33.117 21.166 1.249 667 HD21 LEU 85 3HD2 LEU 85 32.660 19.893 3.380 668 HD22 LEU 85 1HD2 LEU 85 34.125 18.919 3.255 669 HD23 LEU 85 2HD2 LEU 85 32.548 18.133 3.333 670 H TYR 86 H TYR 86 29.566 17.383 -0.978 671 HA TYR 86 HA TYR 86 27.166 18.704 -0.340 672 HB2 TYR 86 1HB TYR 86 27.826 18.421 -2.645 673 HB3 TYR 86 2HB TYR 86 27.787 16.668 -2.487 674 HD1 TYR 86 HD2 TYR 86 25.281 19.122 -1.257 675 HD2 TYR 86 HD1 TYR 86 26.166 16.049 -4.064 676 HE1 TYR 86 HE2 TYR 86 22.930 19.114 -1.981 677 HE2 TYR 86 HE1 TYR 86 23.818 16.034 -4.797 678 HH TYR 86 HH TYR 86 21.779 16.850 -4.463 679 H PHE 87 H PHE 87 28.054 15.278 -0.301 680 HA PHE 87 HA PHE 87 25.483 14.300 0.356 681 HB2 PHE 87 1HB PHE 87 27.072 12.769 -0.560 682 HB3 PHE 87 2HB PHE 87 28.245 13.132 0.701 683 HD1 PHE 87 HD2 PHE 87 25.025 11.481 -0.005 684 HD2 PHE 87 HD1 PHE 87 28.201 12.010 2.779 685 HE1 PHE 87 HE2 PHE 87 24.165 9.600 1.328 686 HE2 PHE 87 HE1 PHE 87 27.347 10.129 4.116 687 HZ PHE 87 HZ PHE 87 25.326 8.922 3.392 688 H SER 88 H SER 88 28.333 15.026 2.351 689 HA SER 88 HA SER 88 27.157 14.305 4.814 690 HB2 SER 88 1HB SER 88 29.017 15.616 5.826 691 HB3 SER 88 2HB SER 88 29.570 14.479 4.596 692 HG SER 88 HG SER 88 29.320 17.286 4.427 693 H ARG 89 H ARG 89 27.277 17.326 3.012 694 HA ARG 89 HA ARG 89 26.272 19.017 5.023 695 HB2 ARG 89 1HB ARG 89 26.417 19.150 2.038 696 HB3 ARG 89 2HB ARG 89 25.447 20.336 2.900 697 HG2 ARG 89 1HG ARG 89 28.366 19.806 3.409 698 HG3 ARG 89 2HG ARG 89 27.731 21.116 2.413 699 HD2 ARG 89 1HD ARG 89 27.349 20.697 5.370 700 HD3 ARG 89 2HD ARG 89 28.212 22.011 4.572 701 HE ARG 89 HE ARG 89 25.371 21.789 4.974 702 HH11 ARG 89 2HH1 ARG 89 27.900 23.242 3.073 703 HH12 ARG 89 1HH1 ARG 89 26.930 24.588 2.574 704 HH21 ARG 89 2HH2 ARG 89 24.084 23.557 4.324 705 HH22 ARG 89 1HH2 ARG 89 24.760 24.767 3.287 706 H VAL 90 H VAL 90 24.602 17.358 2.351 707 HA VAL 90 HA VAL 90 22.005 18.195 3.159 708 HB VAL 90 HB VAL 90 22.824 15.906 1.364 709 HG11 VAL 90 1HG1 VAL 90 20.143 17.152 1.925 710 HG12 VAL 90 2HG1 VAL 90 20.472 16.185 0.486 711 HG13 VAL 90 3HG1 VAL 90 20.615 15.461 2.088 712 HG21 VAL 90 3HG2 VAL 90 23.435 17.567 -0.004 713 HG22 VAL 90 1HG2 VAL 90 21.709 17.880 -0.191 714 HG23 VAL 90 2HG2 VAL 90 22.648 18.792 0.991 715 H PHE 91 H PHE 91 23.817 15.164 3.538 716 HA PHE 91 HA PHE 91 21.806 13.711 4.846 717 HB2 PHE 91 1HB PHE 91 23.727 12.568 3.948 718 HB3 PHE 91 2HB PHE 91 24.816 13.481 4.987 719 HD1 PHE 91 HD1 PHE 91 24.958 12.993 7.375 720 HD2 PHE 91 HD2 PHE 91 22.499 10.689 4.775 721 HE1 PHE 91 HE1 PHE 91 24.801 11.234 9.088 722 HE2 PHE 91 HE2 PHE 91 22.337 8.927 6.484 723 HZ PHE 91 HZ PHE 91 23.489 9.198 8.644 724 H LYS 92 H LYS 92 24.218 15.964 6.046 725 HA LYS 92 HA LYS 92 24.032 15.453 8.779 726 HB2 LYS 92 1HB LYS 92 25.762 16.891 7.968 727 HB3 LYS 92 2HB LYS 92 24.594 18.008 7.274 728 HG2 LYS 92 1HG LYS 92 24.260 17.614 10.144 729 HG3 LYS 92 2HG LYS 92 25.828 18.289 9.696 730 HD2 LYS 92 1HD LYS 92 24.184 19.766 8.135 731 HD3 LYS 92 2HD LYS 92 23.133 19.468 9.522 732 HE2 LYS 92 1HE LYS 92 24.361 21.526 9.849 733 HE3 LYS 92 2HE LYS 92 24.903 20.316 11.012 734 HZ1 LYS 92 3HZ LYS 92 26.955 20.363 10.187 735 HZ2 LYS 92 1HZ LYS 92 26.505 21.779 9.377 736 HZ3 LYS 92 2HZ LYS 92 26.423 20.288 8.582 737 H LYS 93 H LYS 93 21.895 17.197 6.641 738 HA LYS 93 HA LYS 93 20.370 18.434 8.733 739 HB2 LYS 93 1HB LYS 93 19.636 17.993 5.833 740 HB3 LYS 93 2HB LYS 93 18.837 19.092 6.950 741 HG2 LYS 93 1HG LYS 93 21.738 19.485 6.611 742 HG3 LYS 93 2HG LYS 93 20.731 19.849 5.207 743 HD2 LYS 93 1HD LYS 93 19.292 21.076 7.104 744 HD3 LYS 93 2HD LYS 93 20.893 21.199 7.838 745 HE2 LYS 93 1HE LYS 93 21.730 22.486 6.099 746 HE3 LYS 93 2HE LYS 93 20.490 21.946 4.969 747 HZ1 LYS 93 3HZ LYS 93 20.478 24.203 6.682 748 HZ2 LYS 93 1HZ LYS 93 19.148 23.213 7.019 749 HZ3 LYS 93 2HZ LYS 93 19.393 23.794 5.450 750 H CYS 94 H CYS 94 20.333 15.387 7.093 751 HA CYS 94 HA CYS 94 17.655 14.647 7.542 752 HB2 CYS 94 1HB CYS 94 19.157 13.456 5.987 753 HB3 CYS 94 2HB CYS 94 20.097 12.871 7.354 754 HG CYS 94 HG CYS 94 16.852 12.127 7.585 755 H THR 95 H THR 95 20.598 13.961 9.421 756 HA THR 95 HA THR 95 18.928 13.025 11.640 757 HB THR 95 HB THR 95 20.895 12.049 12.593 758 HG1 THR 95 HG1 THR 95 22.262 13.590 10.637 759 HG21 THR 95 3HG2 THR 95 19.941 10.712 10.838 760 HG22 THR 95 1HG2 THR 95 21.696 10.598 10.726 761 HG23 THR 95 2HG2 THR 95 20.807 11.628 9.605 762 H GLY 96 H GLY 96 20.575 15.781 10.594 763 HA2 GLY 96 1HA GLY 96 20.435 17.858 11.719 764 HA3 GLY 96 2HA GLY 96 20.242 16.995 13.238 765 H ALA 97 H ALA 97 22.639 15.331 11.973 766 HA ALA 97 HA ALA 97 24.773 17.233 12.625 767 HB1 ALA 97 1HB ALA 97 25.028 14.486 13.728 768 HB2 ALA 97 2HB ALA 97 25.681 16.012 14.325 769 HB3 ALA 97 3HB ALA 97 23.977 15.627 14.567 770 H SER 98 H SER 98 26.837 16.677 11.783 771 HA SER 98 HA SER 98 26.768 15.500 9.225 772 HB2 SER 98 1HB SER 98 28.804 16.714 10.972 773 HB3 SER 98 2HB SER 98 29.432 15.507 9.850 774 HG SER 98 HG SER 98 27.764 17.669 9.082 775 HA PRO 99 HA PRO 99 27.573 11.233 9.843 776 HB2 PRO 99 1HB PRO 99 29.430 10.672 7.943 777 HB3 PRO 99 2HB PRO 99 27.738 11.015 7.562 778 HG2 PRO 99 1HG PRO 99 30.115 12.830 7.429 779 HG3 PRO 99 2HG PRO 99 28.783 12.645 6.274 780 HD2 PRO 99 1HD PRO 99 28.891 14.679 8.058 781 HD3 PRO 99 2HD PRO 99 27.359 13.969 7.511 782 H SER 100 H SER 100 30.347 13.373 9.856 783 HA SER 100 HA SER 100 32.250 11.506 10.813 784 HB2 SER 100 1HB SER 100 33.445 13.667 11.580 785 HB3 SER 100 2HB SER 100 33.165 13.447 9.853 786 HG SER 100 HG SER 100 32.579 15.556 10.876 787 H GLU 101 H GLU 101 29.903 13.584 12.380 788 HA GLU 101 HA GLU 101 30.934 13.225 15.022 789 HB2 GLU 101 1HB GLU 101 29.343 15.076 14.041 790 HB3 GLU 101 2HB GLU 101 28.078 13.944 14.500 791 HG2 GLU 101 1HG GLU 101 30.010 15.417 16.238 792 HG3 GLU 101 2HG GLU 101 28.252 15.344 16.335 793 H PHE 102 H PHE 102 28.193 11.848 13.228 794 HA PHE 102 HA PHE 102 27.221 10.193 15.262 795 HB2 PHE 102 1HB PHE 102 26.031 10.724 13.130 796 HB3 PHE 102 2HB PHE 102 27.133 9.638 12.291 797 HD1 PHE 102 HD2 PHE 102 24.607 9.748 15.008 798 HD2 PHE 102 HD1 PHE 102 26.668 7.366 12.144 799 HE1 PHE 102 HE2 PHE 102 23.122 7.854 15.519 800 HE2 PHE 102 HE1 PHE 102 25.185 5.468 12.650 801 HZ PHE 102 HZ PHE 102 23.410 5.711 14.341 802 H ARG 103 H ARG 103 29.666 9.603 12.775 803 HA ARG 103 HA ARG 103 30.077 6.881 13.226 804 HB2 ARG 103 1HB ARG 103 31.023 8.411 11.375 805 HB3 ARG 103 2HB ARG 103 32.311 8.766 12.518 806 HG2 ARG 103 1HG ARG 103 33.130 6.594 12.465 807 HG3 ARG 103 2HG ARG 103 31.622 5.940 11.820 808 HD2 ARG 103 1HD ARG 103 33.183 5.935 10.036 809 HD3 ARG 103 2HD ARG 103 32.070 7.268 9.731 810 HE ARG 103 HE ARG 103 33.837 8.699 9.877 811 HH11 ARG 103 2HH1 ARG 103 34.683 5.725 11.476 812 HH12 ARG 103 1HH1 ARG 103 36.322 6.200 11.775 813 HH21 ARG 103 2HH2 ARG 103 35.992 9.336 10.265 814 HH22 ARG 103 1HH2 ARG 103 37.065 8.254 11.087 815 H ALA 104 H ALA 104 31.272 9.696 14.937 816 HA ALA 104 HA ALA 104 33.266 8.380 16.458 817 HB1 ALA 104 1HB ALA 104 32.078 11.017 16.338 818 HB2 ALA 104 2HB ALA 104 32.401 10.517 17.998 819 HB3 ALA 104 3HB ALA 104 33.706 10.532 16.812 820 H GLY 105 H GLY 105 29.812 8.777 16.850 821 HA2 GLY 105 1HA GLY 105 28.395 7.507 18.187 822 HA3 GLY 105 2HA GLY 105 29.805 6.768 18.931 823 H CYS 106 H CYS 106 29.997 10.142 18.869 824 HA CYS 106 HA CYS 106 29.902 10.330 21.701 825 HB2 CYS 106 1HB CYS 106 31.189 11.793 19.975 826 HB3 CYS 106 2HB CYS 106 29.692 12.713 19.885 827 HG CYS 106 HG CYS 106 31.668 12.282 22.641 828 H GLU 107 H GLU 107 28.267 10.790 23.035 829 HA GLU 107 HA GLU 107 25.985 12.314 22.267 830 HB2 GLU 107 1HB GLU 107 25.448 10.153 21.175 831 HB3 GLU 107 2HB GLU 107 25.546 9.361 22.741 832 HG2 GLU 107 1HG GLU 107 23.269 9.684 22.393 833 HG3 GLU 107 2HG GLU 107 23.732 10.983 23.490 Start of MODEL 6 1 H1 MET 1 H MET 1 1.575 -0.359 0.800 2 HA MET 1 HA MET 1 2.568 1.306 -1.420 3 HB2 MET 1 1HB MET 1 4.066 -0.270 0.280 4 HB3 MET 1 2HB MET 1 3.842 -1.309 -1.121 5 HG2 MET 1 1HG MET 1 5.633 -0.266 -1.934 6 HG3 MET 1 2HG MET 1 4.516 1.048 -2.294 7 HE1 MET 1 3HE MET 1 7.224 1.593 -2.388 8 HE2 MET 1 1HE MET 1 6.612 3.195 -1.977 9 HE3 MET 1 2HE MET 1 7.965 2.511 -1.076 10 H ASP 2 H ASP 2 1.423 1.012 -3.206 11 HA ASP 2 HA ASP 2 -0.225 -1.315 -3.582 12 HB2 ASP 2 1HB ASP 2 -0.667 1.152 -4.321 13 HB3 ASP 2 2HB ASP 2 0.294 0.713 -5.730 14 H ASN 3 H ASN 3 -0.058 -2.854 -5.233 15 HA ASN 3 HA ASN 3 2.457 -3.895 -5.740 16 HB2 ASN 3 1HB ASN 3 -0.072 -4.266 -7.361 17 HB3 ASN 3 2HB ASN 3 1.354 -5.295 -7.456 18 HD21 ASN 3 2HD2 ASN 3 1.404 -7.018 -6.203 19 HD22 ASN 3 1HD2 ASN 3 0.403 -7.294 -4.822 20 H ARG 4 H ARG 4 0.512 -1.691 -7.691 21 HA ARG 4 HA ARG 4 2.218 -1.712 -9.959 22 HB2 ARG 4 1HB ARG 4 -0.128 -0.188 -9.044 23 HB3 ARG 4 2HB ARG 4 0.962 0.709 -10.093 24 HG2 ARG 4 1HG ARG 4 -0.350 -0.199 -11.690 25 HG3 ARG 4 2HG ARG 4 0.785 -1.539 -11.514 26 HD2 ARG 4 1HD ARG 4 -1.513 -2.343 -11.514 27 HD3 ARG 4 2HD ARG 4 -0.746 -2.632 -9.953 28 HE ARG 4 HE ARG 4 -2.000 -0.255 -9.610 29 HH11 ARG 4 2HH1 ARG 4 -3.035 -3.382 -10.735 30 HH12 ARG 4 1HH1 ARG 4 -4.658 -3.198 -10.156 31 HH21 ARG 4 2HH2 ARG 4 -4.133 0.000 -8.842 32 HH22 ARG 4 1HH2 ARG 4 -5.281 -1.274 -9.080 33 H VAL 5 H VAL 5 1.886 0.509 -7.206 34 HA VAL 5 HA VAL 5 3.865 2.338 -8.014 35 HB VAL 5 HB VAL 5 2.937 1.665 -5.218 36 HG11 VAL 5 1HG1 VAL 5 3.794 4.356 -5.474 37 HG12 VAL 5 2HG1 VAL 5 4.474 3.078 -4.464 38 HG13 VAL 5 3HG1 VAL 5 5.072 3.319 -6.106 39 HG21 VAL 5 3HG2 VAL 5 1.602 3.786 -5.538 40 HG22 VAL 5 1HG2 VAL 5 2.000 3.676 -7.252 41 HG23 VAL 5 2HG2 VAL 5 1.066 2.394 -6.479 42 H ARG 6 H ARG 6 4.023 -0.617 -6.093 43 HA ARG 6 HA ARG 6 6.656 -0.372 -5.174 44 HB2 ARG 6 1HB ARG 6 4.926 -2.058 -4.429 45 HB3 ARG 6 2HB ARG 6 5.288 -2.964 -5.892 46 HG2 ARG 6 1HG ARG 6 6.935 -3.979 -4.825 47 HG3 ARG 6 2HG ARG 6 7.752 -2.426 -4.641 48 HD2 ARG 6 1HD ARG 6 7.039 -2.149 -2.493 49 HD3 ARG 6 2HD ARG 6 5.548 -3.052 -2.758 50 HE ARG 6 HE ARG 6 7.436 -4.965 -2.936 51 HH11 ARG 6 2HH1 ARG 6 6.798 -2.487 -0.575 52 HH12 ARG 6 1HH1 ARG 6 7.424 -3.408 0.752 53 HH21 ARG 6 2HH2 ARG 6 8.264 -6.187 -1.197 54 HH22 ARG 6 1HH2 ARG 6 8.259 -5.512 0.397 55 H GLU 7 H GLU 7 5.357 -1.681 -8.185 56 HA GLU 7 HA GLU 7 7.755 -2.768 -9.178 57 HB2 GLU 7 1HB GLU 7 5.080 -2.263 -10.160 58 HB3 GLU 7 2HB GLU 7 6.278 -1.902 -11.395 59 HG2 GLU 7 1HG GLU 7 5.873 -4.504 -9.946 60 HG3 GLU 7 2HG GLU 7 5.598 -4.167 -11.655 61 H ALA 8 H ALA 8 6.365 0.461 -9.370 62 HA ALA 8 HA ALA 8 8.068 1.569 -11.286 63 HB1 ALA 8 1HB ALA 8 6.261 2.908 -10.779 64 HB2 ALA 8 2HB ALA 8 6.464 2.706 -9.038 65 HB3 ALA 8 3HB ALA 8 7.570 3.742 -9.941 66 H CYS 9 H CYS 9 8.501 1.073 -7.830 67 HA CYS 9 HA CYS 9 10.779 2.653 -7.450 68 HB2 CYS 9 1HB CYS 9 10.028 0.080 -6.046 69 HB3 CYS 9 2HB CYS 9 11.195 1.262 -5.465 70 HG CYS 9 HG CYS 9 7.807 1.491 -5.557 71 H GLN 10 H GLN 10 10.394 -0.593 -8.717 72 HA GLN 10 HA GLN 10 13.066 -1.429 -8.594 73 HB2 GLN 10 1HB GLN 10 10.906 -2.154 -10.580 74 HB3 GLN 10 2HB GLN 10 12.437 -3.004 -10.415 75 HG2 GLN 10 1HG GLN 10 10.661 -2.687 -8.041 76 HG3 GLN 10 2HG GLN 10 10.297 -3.913 -9.254 77 HE21 GLN 10 2HE2 GLN 10 12.664 -4.889 -9.971 78 HE22 GLN 10 1HE2 GLN 10 13.488 -5.592 -8.625 79 H TYR 11 H TYR 11 11.301 0.362 -11.083 80 HA TYR 11 HA TYR 11 13.445 0.433 -12.945 81 HB2 TYR 11 1HB TYR 11 11.272 0.789 -13.821 82 HB3 TYR 11 2HB TYR 11 10.918 2.049 -12.644 83 HD1 TYR 11 HD2 TYR 11 13.314 1.315 -15.416 84 HD2 TYR 11 HD1 TYR 11 11.063 4.254 -13.319 85 HE1 TYR 11 HE2 TYR 11 14.048 3.020 -17.030 86 HE2 TYR 11 HE1 TYR 11 11.789 5.967 -14.928 87 HH TYR 11 HH TYR 11 13.728 6.307 -16.505 88 H ILE 12 H ILE 12 12.262 2.723 -10.510 89 HA ILE 12 HA ILE 12 14.034 4.820 -11.089 90 HB ILE 12 HB ILE 12 12.795 4.096 -8.430 91 HG12 ILE 12 1HG1 ILE 12 11.834 6.239 -10.304 92 HG13 ILE 12 2HG1 ILE 12 11.322 4.569 -10.524 93 HG21 ILE 12 1HG2 ILE 12 14.059 5.723 -7.595 94 HG22 ILE 12 2HG2 ILE 12 14.656 6.162 -9.194 95 HG23 ILE 12 3HG2 ILE 12 13.148 6.853 -8.596 96 HD11 ILE 12 3HD1 ILE 12 9.640 5.644 -9.271 97 HD12 ILE 12 1HD1 ILE 12 10.526 4.621 -8.141 98 HD13 ILE 12 2HD1 ILE 12 10.817 6.361 -8.170 99 H SER 13 H SER 13 14.363 1.979 -9.033 100 HA SER 13 HA SER 13 16.748 2.719 -7.735 101 HB2 SER 13 1HB SER 13 16.892 0.467 -7.012 102 HB3 SER 13 2HB SER 13 15.165 0.792 -7.156 103 HG SER 13 HG SER 13 16.832 -0.756 -8.807 104 H ASP 14 H ASP 14 16.123 1.141 -10.815 105 HA ASP 14 HA ASP 14 18.806 0.399 -11.357 106 HB2 ASP 14 1HB ASP 14 16.375 0.776 -13.096 107 HB3 ASP 14 2HB ASP 14 17.941 0.339 -13.774 108 H HIS 15 H HIS 15 17.166 3.392 -11.437 109 HA HIS 15 HA HIS 15 19.304 4.587 -13.072 110 HB2 HIS 15 1HB HIS 15 16.435 5.348 -12.624 111 HB3 HIS 15 2HB HIS 15 17.606 6.565 -13.122 112 HD1 HIS 15 HD1 HIS 15 17.601 6.898 -15.560 113 HD2 HIS 15 HD2 HIS 15 16.688 2.973 -14.550 114 HE1 HIS 15 HE1 HIS 15 17.210 5.715 -17.745 115 H LEU 16 H LEU 16 19.101 3.917 -10.085 116 HA LEU 16 HA LEU 16 18.915 6.190 -8.524 117 HB2 LEU 16 1HB LEU 16 19.346 3.701 -7.907 118 HB3 LEU 16 2HB LEU 16 21.046 4.157 -8.003 119 HG LEU 16 HG LEU 16 20.195 4.182 -5.701 120 HD11 LEU 16 1HD1 LEU 16 20.603 7.052 -6.171 121 HD12 LEU 16 2HD1 LEU 16 21.821 5.993 -6.882 122 HD13 LEU 16 3HD1 LEU 16 21.497 5.926 -5.150 123 HD21 LEU 16 3HD2 LEU 16 17.929 5.315 -6.839 124 HD22 LEU 16 1HD2 LEU 16 18.664 6.626 -5.915 125 HD23 LEU 16 2HD2 LEU 16 18.257 5.106 -5.118 126 H ALA 17 H ALA 17 21.640 5.023 -10.436 127 HA ALA 17 HA ALA 17 23.403 7.115 -9.530 128 HB1 ALA 17 1HB ALA 17 24.638 6.115 -11.718 129 HB2 ALA 17 2HB ALA 17 24.754 5.411 -10.105 130 HB3 ALA 17 3HB ALA 17 23.606 4.756 -11.273 131 H ASP 18 H ASP 18 21.047 6.731 -11.998 132 HA ASP 18 HA ASP 18 22.027 8.511 -13.939 133 HB2 ASP 18 1HB ASP 18 19.924 6.870 -13.877 134 HB3 ASP 18 2HB ASP 18 19.091 8.364 -13.457 135 H SER 19 H SER 19 21.383 10.683 -14.405 136 HA SER 19 HA SER 19 20.962 12.252 -11.962 137 HB2 SER 19 1HB SER 19 22.051 13.046 -14.672 138 HB3 SER 19 2HB SER 19 21.817 14.162 -13.328 139 HG SER 19 HG SER 19 23.566 13.422 -12.424 140 H ASN 20 H ASN 20 19.905 12.138 -15.360 141 HA ASN 20 HA ASN 20 17.705 13.938 -14.826 142 HB2 ASN 20 1HB ASN 20 18.040 12.368 -17.366 143 HB3 ASN 20 2HB ASN 20 17.336 13.966 -17.139 144 HD21 ASN 20 2HD2 ASN 20 19.862 12.453 -18.435 145 HD22 ASN 20 1HD2 ASN 20 21.073 13.678 -18.301 146 H PHE 21 H PHE 21 16.028 13.156 -13.722 147 HA PHE 21 HA PHE 21 15.216 10.380 -14.044 148 HB2 PHE 21 1HB PHE 21 15.353 11.394 -11.781 149 HB3 PHE 21 2HB PHE 21 14.076 12.518 -12.234 150 HD1 PHE 21 HD1 PHE 21 14.367 8.886 -12.955 151 HD2 PHE 21 HD2 PHE 21 12.294 11.956 -10.859 152 HE1 PHE 21 HE1 PHE 21 12.678 7.249 -12.234 153 HE2 PHE 21 HE2 PHE 21 10.602 10.324 -10.134 154 HZ PHE 21 HZ PHE 21 10.793 7.966 -10.821 155 H ASP 22 H ASP 22 13.432 9.701 -15.089 156 HA ASP 22 HA ASP 22 11.710 11.765 -16.297 157 HB2 ASP 22 1HB ASP 22 13.261 9.907 -17.615 158 HB3 ASP 22 2HB ASP 22 11.677 9.136 -17.589 159 H ILE 23 H ILE 23 9.949 11.847 -15.028 160 HA ILE 23 HA ILE 23 8.873 9.708 -13.563 161 HB ILE 23 HB ILE 23 8.410 12.129 -13.137 162 HG12 ILE 23 1HG1 ILE 23 5.985 11.764 -12.558 163 HG13 ILE 23 2HG1 ILE 23 6.070 10.237 -13.429 164 HG21 ILE 23 1HG2 ILE 23 6.764 13.304 -14.399 165 HG22 ILE 23 2HG2 ILE 23 7.955 12.674 -15.535 166 HG23 ILE 23 3HG2 ILE 23 6.394 11.872 -15.358 167 HD11 ILE 23 3HD1 ILE 23 7.956 10.851 -11.190 168 HD12 ILE 23 1HD1 ILE 23 6.342 10.207 -10.888 169 HD13 ILE 23 2HD1 ILE 23 7.493 9.286 -11.857 170 H ALA 24 H ALA 24 8.475 10.671 -16.870 171 HA ALA 24 HA ALA 24 6.026 9.437 -17.456 172 HB1 ALA 24 1HB ALA 24 6.625 10.737 -19.206 173 HB2 ALA 24 2HB ALA 24 8.345 10.393 -19.015 174 HB3 ALA 24 3HB ALA 24 7.293 9.219 -19.806 175 H SER 25 H SER 25 9.344 8.187 -17.587 176 HA SER 25 HA SER 25 8.681 5.644 -18.614 177 HB2 SER 25 1HB SER 25 11.051 6.436 -16.904 178 HB3 SER 25 2HB SER 25 10.925 4.971 -17.876 179 HG SER 25 HG SER 25 11.347 6.088 -19.617 180 H VAL 26 H VAL 26 8.638 6.985 -15.401 181 HA VAL 26 HA VAL 26 8.590 4.563 -13.943 182 HB VAL 26 HB VAL 26 7.409 7.240 -13.187 183 HG11 VAL 26 1HG1 VAL 26 7.559 6.451 -10.891 184 HG12 VAL 26 2HG1 VAL 26 6.534 5.379 -11.847 185 HG13 VAL 26 3HG1 VAL 26 8.184 4.899 -11.449 186 HG21 VAL 26 3HG2 VAL 26 9.893 6.473 -11.901 187 HG22 VAL 26 1HG2 VAL 26 10.061 6.595 -13.653 188 HG23 VAL 26 2HG2 VAL 26 9.465 7.972 -12.726 189 H ALA 27 H ALA 27 5.956 6.730 -14.974 190 HA ALA 27 HA ALA 27 3.874 5.056 -14.027 191 HB1 ALA 27 1HB ALA 27 4.078 7.616 -15.159 192 HB2 ALA 27 2HB ALA 27 3.002 6.696 -16.211 193 HB3 ALA 27 3HB ALA 27 2.641 6.842 -14.491 194 H GLN 28 H GLN 28 5.336 5.506 -17.228 195 HA GLN 28 HA GLN 28 3.633 3.789 -18.647 196 HB2 GLN 28 1HB GLN 28 5.086 5.332 -19.808 197 HB3 GLN 28 2HB GLN 28 6.514 4.544 -19.150 198 HG2 GLN 28 1HG GLN 28 6.336 2.737 -20.555 199 HG3 GLN 28 2HG GLN 28 4.603 2.959 -20.794 200 HE21 GLN 28 2HE2 GLN 28 4.190 3.442 -22.819 201 HE22 GLN 28 1HE2 GLN 28 5.107 4.506 -23.825 202 H HIS 29 H HIS 29 6.536 3.171 -16.766 203 HA HIS 29 HA HIS 29 7.085 0.564 -17.574 204 HB2 HIS 29 1HB HIS 29 8.677 1.675 -16.200 205 HB3 HIS 29 2HB HIS 29 7.490 1.963 -14.932 206 HD1 HIS 29 HD1 HIS 29 8.124 -1.372 -16.595 207 HD2 HIS 29 HD2 HIS 29 8.668 0.508 -12.930 208 HE1 HIS 29 HE1 HIS 29 8.888 -3.178 -15.019 209 H VAL 30 H VAL 30 4.700 1.793 -15.312 210 HA VAL 30 HA VAL 30 3.856 -0.935 -14.654 211 HB VAL 30 HB VAL 30 2.449 0.077 -12.935 212 HG11 VAL 30 1HG1 VAL 30 4.489 -0.418 -12.009 213 HG12 VAL 30 2HG1 VAL 30 5.358 0.712 -13.049 214 HG13 VAL 30 3HG1 VAL 30 4.403 1.315 -11.694 215 HG21 VAL 30 3HG2 VAL 30 3.591 2.735 -13.787 216 HG22 VAL 30 1HG2 VAL 30 1.972 2.170 -14.201 217 HG23 VAL 30 2HG2 VAL 30 2.407 2.438 -12.513 218 H CYS 31 H CYS 31 3.386 0.542 -17.254 219 HA CYS 31 HA CYS 31 1.727 0.866 -18.781 220 HB2 CYS 31 1HB CYS 31 0.644 -1.391 -17.108 221 HB3 CYS 31 2HB CYS 31 -0.236 -0.781 -18.504 222 HG CYS 31 HG CYS 31 0.972 -2.277 -20.190 223 H LEU 32 H LEU 32 1.697 2.660 -16.578 224 HA LEU 32 HA LEU 32 -1.152 3.368 -16.583 225 HB2 LEU 32 1HB LEU 32 -0.022 2.343 -14.375 226 HB3 LEU 32 2HB LEU 32 0.394 4.041 -14.154 227 HG LEU 32 HG LEU 32 -2.434 3.471 -14.787 228 HD11 LEU 32 1HD1 LEU 32 -1.850 1.625 -13.257 229 HD12 LEU 32 2HD1 LEU 32 -2.986 2.772 -12.548 230 HD13 LEU 32 3HD1 LEU 32 -1.287 2.811 -12.079 231 HD21 LEU 32 3HD2 LEU 32 -2.220 5.055 -12.531 232 HD22 LEU 32 1HD2 LEU 32 -2.421 5.617 -14.190 233 HD23 LEU 32 2HD2 LEU 32 -0.806 5.493 -13.491 234 H SER 33 H SER 33 -1.510 5.678 -16.000 235 HA SER 33 HA SER 33 0.333 7.324 -17.477 236 HB2 SER 33 1HB SER 33 -2.340 7.762 -16.185 237 HB3 SER 33 2HB SER 33 -1.370 9.148 -16.684 238 HG SER 33 HG SER 33 -1.718 8.673 -18.721 239 HA PRO 34 HA PRO 34 2.693 9.046 -14.205 240 HB2 PRO 34 1HB PRO 34 2.982 11.620 -15.017 241 HB3 PRO 34 2HB PRO 34 3.811 10.268 -15.797 242 HG2 PRO 34 1HG PRO 34 1.320 11.701 -16.635 243 HG3 PRO 34 2HG PRO 34 2.690 11.167 -17.626 244 HD2 PRO 34 1HD PRO 34 0.363 9.789 -17.494 245 HD3 PRO 34 2HD PRO 34 1.933 8.992 -17.725 246 H SER 35 H SER 35 -0.123 10.981 -15.166 247 HA SER 35 HA SER 35 -0.252 12.521 -12.795 248 HB2 SER 35 1HB SER 35 -1.371 13.056 -15.006 249 HB3 SER 35 2HB SER 35 -2.581 11.840 -14.597 250 HG SER 35 HG SER 35 -3.350 13.797 -13.895 251 H ARG 36 H ARG 36 -1.961 9.585 -13.833 252 HA ARG 36 HA ARG 36 -3.474 9.328 -11.439 253 HB2 ARG 36 1HB ARG 36 -2.939 7.631 -13.826 254 HB3 ARG 36 2HB ARG 36 -3.552 6.837 -12.382 255 HG2 ARG 36 1HG ARG 36 -4.884 9.218 -13.646 256 HG3 ARG 36 2HG ARG 36 -5.284 7.546 -14.049 257 HD2 ARG 36 1HD ARG 36 -5.758 7.160 -11.628 258 HD3 ARG 36 2HD ARG 36 -5.533 8.888 -11.362 259 HE ARG 36 HE ARG 36 -7.408 8.701 -13.356 260 HH11 ARG 36 2HH1 ARG 36 -7.112 7.559 -10.080 261 HH12 ARG 36 1HH1 ARG 36 -8.818 7.592 -9.777 262 HH21 ARG 36 2HH2 ARG 36 -9.656 8.749 -12.968 263 HH22 ARG 36 1HH2 ARG 36 -10.264 8.268 -11.420 264 H LEU 37 H LEU 37 -0.409 7.992 -12.563 265 HA LEU 37 HA LEU 37 -0.047 6.204 -10.386 266 HB2 LEU 37 1HB LEU 37 1.172 5.750 -12.346 267 HB3 LEU 37 2HB LEU 37 1.805 7.392 -12.428 268 HG LEU 37 HG LEU 37 2.681 6.168 -9.995 269 HD11 LEU 37 1HD1 LEU 37 2.815 4.478 -12.437 270 HD12 LEU 37 2HD1 LEU 37 2.633 4.012 -10.746 271 HD13 LEU 37 3HD1 LEU 37 4.209 4.513 -11.357 272 HD21 LEU 37 3HD2 LEU 37 4.911 6.467 -11.394 273 HD22 LEU 37 1HD2 LEU 37 4.040 7.845 -10.721 274 HD23 LEU 37 2HD2 LEU 37 3.842 7.424 -12.422 275 H SER 38 H SER 38 1.112 9.487 -11.057 276 HA SER 38 HA SER 38 2.744 9.783 -8.803 277 HB2 SER 38 1HB SER 38 2.813 11.356 -10.673 278 HB3 SER 38 2HB SER 38 1.172 11.889 -10.309 279 HG SER 38 HG SER 38 3.103 13.133 -9.459 280 H HIS 39 H HIS 39 -0.711 10.348 -9.255 281 HA HIS 39 HA HIS 39 -1.254 11.594 -6.810 282 HB2 HIS 39 1HB HIS 39 -2.850 11.465 -8.702 283 HB3 HIS 39 2HB HIS 39 -3.067 9.747 -8.377 284 HD1 HIS 39 HD1 HIS 39 -4.444 12.983 -7.565 285 HD2 HIS 39 HD2 HIS 39 -4.191 9.293 -5.673 286 HE1 HIS 39 HE1 HIS 39 -6.182 13.038 -5.748 287 H LEU 40 H LEU 40 -1.381 8.150 -7.687 288 HA LEU 40 HA LEU 40 -2.070 7.288 -5.059 289 HB2 LEU 40 1HB LEU 40 -0.871 5.727 -7.342 290 HB3 LEU 40 2HB LEU 40 -1.609 5.040 -5.896 291 HG LEU 40 HG LEU 40 -3.012 6.590 -8.072 292 HD11 LEU 40 1HD1 LEU 40 -2.312 3.878 -7.873 293 HD12 LEU 40 2HD1 LEU 40 -3.400 4.633 -9.037 294 HD13 LEU 40 3HD1 LEU 40 -4.040 3.973 -7.532 295 HD21 LEU 40 3HD2 LEU 40 -4.436 7.136 -6.429 296 HD22 LEU 40 1HD2 LEU 40 -3.770 5.938 -5.319 297 HD23 LEU 40 2HD2 LEU 40 -4.952 5.452 -6.534 298 H PHE 41 H PHE 41 0.928 7.809 -6.777 299 HA PHE 41 HA PHE 41 2.673 6.363 -5.142 300 HB2 PHE 41 1HB PHE 41 2.952 7.929 -7.369 301 HB3 PHE 41 2HB PHE 41 3.726 8.922 -6.138 302 HD1 PHE 41 HD1 PHE 41 5.718 8.132 -4.973 303 HD2 PHE 41 HD2 PHE 41 3.914 5.857 -8.085 304 HE1 PHE 41 HE1 PHE 41 7.761 6.773 -5.159 305 HE2 PHE 41 HE2 PHE 41 5.953 4.493 -8.275 306 HZ PHE 41 HZ PHE 41 7.879 4.949 -6.810 307 H ARG 42 H ARG 42 1.701 9.781 -4.947 308 HA ARG 42 HA ARG 42 3.172 10.320 -2.583 309 HB2 ARG 42 1HB ARG 42 2.294 12.007 -4.275 310 HB3 ARG 42 2HB ARG 42 0.722 11.811 -3.513 311 HG2 ARG 42 1HG ARG 42 1.332 12.937 -1.636 312 HG3 ARG 42 2HG ARG 42 3.023 12.447 -1.759 313 HD2 ARG 42 1HD ARG 42 2.803 14.826 -2.179 314 HD3 ARG 42 2HD ARG 42 3.319 13.991 -3.644 315 HE ARG 42 HE ARG 42 0.507 14.231 -3.607 316 HH11 ARG 42 2HH1 ARG 42 3.396 16.122 -4.049 317 HH12 ARG 42 1HH1 ARG 42 2.631 17.290 -5.074 318 HH21 ARG 42 2HH2 ARG 42 -0.512 15.763 -4.955 319 HH22 ARG 42 1HH2 ARG 42 0.408 17.086 -5.588 320 H GLN 43 H GLN 43 0.064 8.925 -3.198 321 HA GLN 43 HA GLN 43 -0.974 9.352 -0.553 322 HB2 GLN 43 1HB GLN 43 -2.375 9.061 -2.634 323 HB3 GLN 43 2HB GLN 43 -1.937 7.358 -2.604 324 HG2 GLN 43 1HG GLN 43 -4.163 7.922 -1.608 325 HG3 GLN 43 2HG GLN 43 -3.077 7.001 -0.569 326 HE21 GLN 43 2HE2 GLN 43 -3.255 10.455 -1.330 327 HE22 GLN 43 1HE2 GLN 43 -3.443 10.983 0.304 328 H GLN 44 H GLN 44 0.567 6.688 -2.286 329 HA GLN 44 HA GLN 44 0.338 4.892 -0.042 330 HB2 GLN 44 1HB GLN 44 1.886 4.640 -2.626 331 HB3 GLN 44 2HB GLN 44 1.683 3.357 -1.441 332 HG2 GLN 44 1HG GLN 44 -0.676 4.689 -2.716 333 HG3 GLN 44 2HG GLN 44 0.172 3.358 -3.502 334 HE21 GLN 44 2HE2 GLN 44 -1.965 2.347 -3.311 335 HE22 GLN 44 1HE2 GLN 44 -2.353 1.512 -1.850 336 H LEU 45 H LEU 45 2.855 6.860 -1.537 337 HA LEU 45 HA LEU 45 4.836 5.964 0.390 338 HB2 LEU 45 1HB LEU 45 4.944 6.935 -2.211 339 HB3 LEU 45 2HB LEU 45 5.599 8.243 -1.228 340 HG LEU 45 HG LEU 45 6.636 5.448 -0.927 341 HD11 LEU 45 1HD1 LEU 45 6.791 5.858 -3.290 342 HD12 LEU 45 2HD1 LEU 45 8.392 6.028 -2.571 343 HD13 LEU 45 3HD1 LEU 45 7.465 7.464 -3.008 344 HD21 LEU 45 3HD2 LEU 45 8.446 6.440 0.096 345 HD22 LEU 45 1HD2 LEU 45 7.133 7.506 0.597 346 HD23 LEU 45 2HD2 LEU 45 8.201 7.984 -0.723 347 H GLY 46 H GLY 46 2.511 8.436 0.088 348 HA2 GLY 46 1HA GLY 46 1.941 10.153 1.507 349 HA3 GLY 46 2HA GLY 46 3.119 9.513 2.642 350 H ILE 47 H ILE 47 4.559 10.072 -0.329 351 HA ILE 47 HA ILE 47 5.170 12.871 0.173 352 HB ILE 47 HB ILE 47 7.553 12.593 0.252 353 HG12 ILE 47 1HG1 ILE 47 7.014 9.624 0.027 354 HG13 ILE 47 2HG1 ILE 47 7.756 10.639 -1.205 355 HG21 ILE 47 1HG2 ILE 47 6.382 12.473 2.379 356 HG22 ILE 47 2HG2 ILE 47 6.210 10.727 2.202 357 HG23 ILE 47 3HG2 ILE 47 7.811 11.440 2.399 358 HD11 ILE 47 3HD1 ILE 47 9.582 11.115 0.458 359 HD12 ILE 47 1HD1 ILE 47 8.886 9.840 1.457 360 HD13 ILE 47 2HD1 ILE 47 9.502 9.462 -0.152 361 H SER 48 H SER 48 6.805 13.653 -1.551 362 HA SER 48 HA SER 48 5.707 12.951 -4.109 363 HB2 SER 48 1HB SER 48 6.503 15.283 -3.262 364 HB3 SER 48 2HB SER 48 8.104 14.728 -3.750 365 HG SER 48 HG SER 48 6.372 15.832 -5.293 366 H VAL 49 H VAL 49 6.825 12.122 -5.902 367 HA VAL 49 HA VAL 49 8.471 9.937 -5.454 368 HB VAL 49 HB VAL 49 8.397 11.554 -8.002 369 HG11 VAL 49 1HG1 VAL 49 10.155 9.891 -7.977 370 HG12 VAL 49 2HG1 VAL 49 9.010 8.650 -7.466 371 HG13 VAL 49 3HG1 VAL 49 8.866 9.380 -9.066 372 HG21 VAL 49 3HG2 VAL 49 6.286 10.178 -6.666 373 HG22 VAL 49 1HG2 VAL 49 6.254 11.016 -8.218 374 HG23 VAL 49 2HG2 VAL 49 6.688 9.308 -8.147 375 H LEU 50 H LEU 50 9.360 13.236 -6.410 376 HA LEU 50 HA LEU 50 12.114 12.789 -6.714 377 HB2 LEU 50 1HB LEU 50 10.679 15.305 -5.879 378 HB3 LEU 50 2HB LEU 50 12.347 15.219 -6.441 379 HG LEU 50 HG LEU 50 9.865 14.657 -8.060 380 HD11 LEU 50 1HD1 LEU 50 10.946 16.585 -9.403 381 HD12 LEU 50 2HD1 LEU 50 11.802 16.930 -7.901 382 HD13 LEU 50 3HD1 LEU 50 10.039 16.961 -7.938 383 HD21 LEU 50 3HD2 LEU 50 11.549 14.524 -9.949 384 HD22 LEU 50 1HD2 LEU 50 11.492 13.145 -8.851 385 HD23 LEU 50 2HD2 LEU 50 12.785 14.336 -8.704 386 H SER 51 H SER 51 10.144 13.404 -3.891 387 HA SER 51 HA SER 51 12.313 13.972 -2.125 388 HB2 SER 51 1HB SER 51 10.040 14.738 -1.628 389 HB3 SER 51 2HB SER 51 9.487 13.067 -1.521 390 HG SER 51 HG SER 51 9.902 13.751 0.544 391 H TRP 52 H TRP 52 10.362 11.084 -2.789 392 HA TRP 52 HA TRP 52 11.515 9.397 -0.882 393 HB2 TRP 52 1HB TRP 52 9.478 8.768 -2.025 394 HB3 TRP 52 2HB TRP 52 10.308 8.750 -3.578 395 HD1 TRP 52 HD1 TRP 52 10.470 6.844 -0.199 396 HE1 TRP 52 HE1 TRP 52 11.128 4.406 -0.699 397 HE3 TRP 52 HE3 TRP 52 11.159 7.210 -5.251 398 HZ2 TRP 52 HZ2 TRP 52 11.844 2.845 -2.939 399 HZ3 TRP 52 HZ3 TRP 52 11.831 5.198 -6.499 400 HH2 TRP 52 HH2 TRP 52 12.166 3.062 -5.365 401 H ARG 53 H ARG 53 12.485 10.132 -4.199 402 HA ARG 53 HA ARG 53 14.510 8.213 -4.453 403 HB2 ARG 53 1HB ARG 53 13.630 9.480 -6.357 404 HB3 ARG 53 2HB ARG 53 14.324 10.958 -5.705 405 HG2 ARG 53 1HG ARG 53 16.529 10.217 -6.111 406 HG3 ARG 53 2HG ARG 53 15.990 8.567 -6.430 407 HD2 ARG 53 1HD ARG 53 15.471 9.026 -8.564 408 HD3 ARG 53 2HD ARG 53 14.741 10.576 -8.149 409 HE ARG 53 HE ARG 53 16.743 11.612 -8.599 410 HH11 ARG 53 2HH1 ARG 53 17.210 8.165 -8.467 411 HH12 ARG 53 1HH1 ARG 53 18.825 8.228 -9.092 412 HH21 ARG 53 2HH2 ARG 53 18.868 11.709 -9.423 413 HH22 ARG 53 1HH2 ARG 53 19.767 10.244 -9.634 414 H GLU 54 H GLU 54 14.645 11.574 -3.314 415 HA GLU 54 HA GLU 54 17.431 11.617 -2.851 416 HB2 GLU 54 1HB GLU 54 16.178 13.680 -3.049 417 HB3 GLU 54 2HB GLU 54 15.205 13.265 -1.645 418 HG2 GLU 54 1HG GLU 54 17.233 13.367 -0.248 419 HG3 GLU 54 2HG GLU 54 18.151 13.877 -1.664 420 H ASP 55 H ASP 55 14.676 11.009 -0.696 421 HA ASP 55 HA ASP 55 16.171 10.655 1.660 422 HB2 ASP 55 1HB ASP 55 13.527 10.795 1.115 423 HB3 ASP 55 2HB ASP 55 13.695 9.059 1.361 424 H GLN 56 H GLN 56 15.220 8.421 -0.890 425 HA GLN 56 HA GLN 56 16.041 6.052 0.427 426 HB2 GLN 56 1HB GLN 56 15.272 6.816 -2.331 427 HB3 GLN 56 2HB GLN 56 16.253 5.366 -2.168 428 HG2 GLN 56 1HG GLN 56 13.590 5.894 -0.873 429 HG3 GLN 56 2HG GLN 56 13.924 4.776 -2.195 430 HE21 GLN 56 2HE2 GLN 56 15.714 3.155 -1.632 431 HE22 GLN 56 1HE2 GLN 56 15.580 2.403 -0.083 432 H ARG 57 H ARG 57 17.696 8.390 -1.598 433 HA ARG 57 HA ARG 57 20.001 6.948 -2.207 434 HB2 ARG 57 1HB ARG 57 19.465 9.884 -1.843 435 HB3 ARG 57 2HB ARG 57 21.081 9.298 -2.213 436 HG2 ARG 57 1HG ARG 57 20.501 8.623 -4.332 437 HG3 ARG 57 2HG ARG 57 18.794 8.446 -3.922 438 HD2 ARG 57 1HD ARG 57 18.505 10.422 -4.920 439 HD3 ARG 57 2HD ARG 57 19.261 11.121 -3.489 440 HE ARG 57 HE ARG 57 21.033 11.690 -4.797 441 HH11 ARG 57 2HH1 ARG 57 19.359 9.040 -6.312 442 HH12 ARG 57 1HH1 ARG 57 20.365 9.039 -7.722 443 HH21 ARG 57 2HH2 ARG 57 22.365 11.699 -6.649 444 HH22 ARG 57 1HH2 ARG 57 22.076 10.551 -7.912 445 H ILE 58 H ILE 58 19.299 9.017 0.594 446 HA ILE 58 HA ILE 58 21.833 8.613 1.827 447 HB ILE 58 HB ILE 58 19.213 9.706 2.806 448 HG12 ILE 58 1HG1 ILE 58 20.690 11.739 3.131 449 HG13 ILE 58 2HG1 ILE 58 21.966 10.847 2.310 450 HG21 ILE 58 1HG2 ILE 58 20.707 10.343 4.867 451 HG22 ILE 58 2HG2 ILE 58 19.869 8.793 4.803 452 HG23 ILE 58 3HG2 ILE 58 21.585 8.885 4.407 453 HD11 ILE 58 3HD1 ILE 58 20.753 10.798 0.286 454 HD12 ILE 58 1HD1 ILE 58 19.281 11.365 1.074 455 HD13 ILE 58 2HD1 ILE 58 20.659 12.451 0.894 456 H SER 59 H SER 59 18.619 7.191 2.314 457 HA SER 59 HA SER 59 19.195 5.590 4.515 458 HB2 SER 59 1HB SER 59 16.921 5.760 3.927 459 HB3 SER 59 2HB SER 59 17.229 5.304 2.252 460 HG SER 59 HG SER 59 17.337 3.232 2.813 461 H GLN 60 H GLN 60 19.727 5.010 1.081 462 HA GLN 60 HA GLN 60 20.537 2.295 1.382 463 HB2 GLN 60 1HB GLN 60 19.683 3.342 -0.742 464 HB3 GLN 60 2HB GLN 60 21.228 4.171 -0.881 465 HG2 GLN 60 1HG GLN 60 20.976 2.068 -2.232 466 HG3 GLN 60 2HG GLN 60 22.400 2.156 -1.197 467 HE21 GLN 60 2HE2 GLN 60 22.605 0.763 0.510 468 HE22 GLN 60 1HE2 GLN 60 21.546 -0.577 0.770 469 H ALA 61 H ALA 61 22.271 5.370 1.109 470 HA ALA 61 HA ALA 61 24.874 4.324 1.034 471 HB1 ALA 61 1HB ALA 61 23.641 6.927 1.372 472 HB2 ALA 61 2HB ALA 61 25.112 6.756 2.329 473 HB3 ALA 61 3HB ALA 61 25.158 6.488 0.586 474 H LYS 62 H LYS 62 22.723 5.059 3.714 475 HA LYS 62 HA LYS 62 24.636 4.828 5.784 476 HB2 LYS 62 1HB LYS 62 21.636 4.489 5.773 477 HB3 LYS 62 2HB LYS 62 22.608 4.441 7.238 478 HG2 LYS 62 1HG LYS 62 23.180 6.696 7.076 479 HG3 LYS 62 2HG LYS 62 22.715 6.786 5.376 480 HD2 LYS 62 1HD LYS 62 20.935 7.836 6.404 481 HD3 LYS 62 2HD LYS 62 20.346 6.177 6.282 482 HE2 LYS 62 1HE LYS 62 21.818 7.089 8.723 483 HE3 LYS 62 2HE LYS 62 20.107 7.461 8.526 484 HZ1 LYS 62 3HZ LYS 62 21.330 5.015 9.286 485 HZ2 LYS 62 1HZ LYS 62 20.357 4.789 7.920 486 HZ3 LYS 62 2HZ LYS 62 19.696 5.451 9.329 487 H LEU 63 H LEU 63 22.679 2.496 4.054 488 HA LEU 63 HA LEU 63 23.014 0.314 5.809 489 HB2 LEU 63 1HB LEU 63 21.340 0.451 3.981 490 HB3 LEU 63 2HB LEU 63 22.647 0.244 2.818 491 HG LEU 63 HG LEU 63 22.308 -1.842 4.908 492 HD11 LEU 63 1HD1 LEU 63 20.463 -2.851 3.985 493 HD12 LEU 63 2HD1 LEU 63 20.643 -2.020 2.441 494 HD13 LEU 63 3HD1 LEU 63 20.026 -1.148 3.844 495 HD21 LEU 63 3HD2 LEU 63 23.795 -1.482 2.547 496 HD22 LEU 63 1HD2 LEU 63 22.617 -2.752 2.214 497 HD23 LEU 63 2HD2 LEU 63 23.724 -2.912 3.578 498 H LEU 64 H LEU 64 24.759 1.178 2.824 499 HA LEU 64 HA LEU 64 26.686 -0.902 3.119 500 HB2 LEU 64 1HB LEU 64 27.709 -0.043 1.201 501 HB3 LEU 64 2HB LEU 64 25.988 0.265 0.978 502 HG LEU 64 HG LEU 64 26.671 2.620 2.010 503 HD11 LEU 64 1HD1 LEU 64 28.873 2.808 2.280 504 HD12 LEU 64 2HD1 LEU 64 28.975 2.876 0.521 505 HD13 LEU 64 3HD1 LEU 64 29.196 1.339 1.357 506 HD21 LEU 64 3HD2 LEU 64 27.081 3.353 -0.397 507 HD22 LEU 64 1HD2 LEU 64 25.565 2.519 -0.057 508 HD23 LEU 64 2HD2 LEU 64 26.895 1.652 -0.825 509 H LEU 65 H LEU 65 26.578 2.514 3.966 510 HA LEU 65 HA LEU 65 29.295 2.800 4.668 511 HB2 LEU 65 1HB LEU 65 27.700 4.662 4.257 512 HB3 LEU 65 2HB LEU 65 26.930 4.289 5.798 513 HG LEU 65 HG LEU 65 29.677 4.662 6.327 514 HD11 LEU 65 1HD1 LEU 65 28.581 6.526 4.283 515 HD12 LEU 65 2HD1 LEU 65 30.217 5.899 4.480 516 HD13 LEU 65 3HD1 LEU 65 29.626 7.170 5.550 517 HD21 LEU 65 3HD2 LEU 65 27.212 6.311 6.849 518 HD22 LEU 65 1HD2 LEU 65 28.791 6.662 7.551 519 HD23 LEU 65 2HD2 LEU 65 27.979 5.141 7.924 520 H SER 66 H SER 66 26.543 1.496 6.350 521 HA SER 66 HA SER 66 27.738 1.556 8.954 522 HB2 SER 66 1HB SER 66 25.396 1.524 9.015 523 HB3 SER 66 2HB SER 66 25.287 0.262 7.787 524 HG SER 66 HG SER 66 25.315 -1.145 9.333 525 H THR 67 H THR 67 27.904 -0.528 6.229 526 HA THR 67 HA THR 67 29.165 -2.638 7.850 527 HB THR 67 HB THR 67 27.319 -3.503 6.561 528 HG1 THR 67 HG1 THR 67 28.439 -5.127 5.507 529 HG21 THR 67 3HG2 THR 67 27.258 -1.735 4.843 530 HG22 THR 67 1HG2 THR 67 27.223 -3.349 4.135 531 HG23 THR 67 2HG2 THR 67 28.716 -2.411 4.115 532 H THR 68 H THR 68 29.995 -0.014 6.101 533 HA THR 68 HA THR 68 32.573 -1.203 5.330 534 HB THR 68 HB THR 68 32.687 0.127 3.327 535 HG1 THR 68 HG1 THR 68 31.516 1.874 3.185 536 HG21 THR 68 3HG2 THR 68 30.044 -0.713 2.660 537 HG22 THR 68 1HG2 THR 68 30.757 -1.906 3.745 538 HG23 THR 68 2HG2 THR 68 31.580 -1.474 2.246 539 H ARG 69 H ARG 69 34.383 0.103 5.592 540 HA ARG 69 HA ARG 69 33.941 2.468 7.278 541 HB2 ARG 69 1HB ARG 69 36.112 0.427 7.102 542 HB3 ARG 69 2HB ARG 69 36.532 2.049 7.637 543 HG2 ARG 69 1HG ARG 69 36.088 1.090 9.647 544 HG3 ARG 69 2HG ARG 69 34.472 1.673 9.243 545 HD2 ARG 69 1HD ARG 69 33.679 -0.428 8.787 546 HD3 ARG 69 2HD ARG 69 35.267 -1.045 8.332 547 HE ARG 69 HE ARG 69 35.383 -0.479 11.038 548 HH11 ARG 69 2HH1 ARG 69 33.585 -2.585 8.928 549 HH12 ARG 69 1HH1 ARG 69 33.362 -3.813 10.130 550 HH21 ARG 69 2HH2 ARG 69 35.095 -2.088 12.629 551 HH22 ARG 69 1HH2 ARG 69 34.220 -3.529 12.235 552 H MET 70 H MET 70 33.995 2.174 4.228 553 HA MET 70 HA MET 70 36.287 3.476 3.241 554 HB2 MET 70 1HB MET 70 33.508 3.056 2.205 555 HB3 MET 70 2HB MET 70 34.607 4.124 1.343 556 HG2 MET 70 1HG MET 70 36.175 2.337 1.016 557 HG3 MET 70 2HG MET 70 35.211 1.258 2.021 558 HE1 MET 70 3HE MET 70 32.995 0.161 1.336 559 HE2 MET 70 1HE MET 70 32.239 1.742 1.134 560 HE3 MET 70 2HE MET 70 32.098 0.528 -0.138 561 HA PRO 71 HA PRO 71 35.732 7.714 4.231 562 HB2 PRO 71 1HB PRO 71 36.603 8.946 1.974 563 HB3 PRO 71 2HB PRO 71 37.690 8.130 3.104 564 HG2 PRO 71 1HG PRO 71 36.561 7.142 0.513 565 HG3 PRO 71 2HG PRO 71 38.211 6.991 1.144 566 HD2 PRO 71 1HD PRO 71 36.413 4.969 1.265 567 HD3 PRO 71 2HD PRO 71 37.662 5.212 2.504 568 H ILE 72 H ILE 72 34.388 9.507 3.944 569 HA ILE 72 HA ILE 72 31.841 9.096 2.969 570 HB ILE 72 HB ILE 72 33.245 11.758 3.222 571 HG12 ILE 72 1HG1 ILE 72 31.558 10.240 5.224 572 HG13 ILE 72 2HG1 ILE 72 33.308 10.409 5.292 573 HG21 ILE 72 1HG2 ILE 72 31.367 12.647 2.444 574 HG22 ILE 72 2HG2 ILE 72 30.621 11.055 2.322 575 HG23 ILE 72 3HG2 ILE 72 30.510 11.967 3.827 576 HD11 ILE 72 3HD1 ILE 72 32.970 12.882 5.433 577 HD12 ILE 72 1HD1 ILE 72 31.244 12.567 5.607 578 HD13 ILE 72 2HD1 ILE 72 32.377 11.963 6.816 579 H ALA 73 H ALA 73 34.683 10.230 1.286 580 HA ALA 73 HA ALA 73 33.421 11.300 -0.997 581 HB1 ALA 73 1HB ALA 73 35.660 11.896 -0.715 582 HB2 ALA 73 2HB ALA 73 36.174 10.224 -0.485 583 HB3 ALA 73 3HB ALA 73 35.683 10.783 -2.084 584 H THR 74 H THR 74 34.729 8.063 -0.330 585 HA THR 74 HA THR 74 34.089 6.976 -2.865 586 HB THR 74 HB THR 74 34.492 5.544 -0.231 587 HG1 THR 74 HG1 THR 74 36.315 6.042 -2.369 588 HG21 THR 74 3HG2 THR 74 33.417 4.025 -1.697 589 HG22 THR 74 1HG2 THR 74 35.135 3.640 -1.782 590 HG23 THR 74 2HG2 THR 74 34.373 4.563 -3.077 591 H VAL 75 H VAL 75 32.467 6.731 0.297 592 HA VAL 75 HA VAL 75 30.304 5.162 -0.546 593 HB VAL 75 HB VAL 75 30.252 7.229 1.655 594 HG11 VAL 75 1HG1 VAL 75 28.713 5.257 2.560 595 HG12 VAL 75 2HG1 VAL 75 28.079 6.562 1.555 596 HG13 VAL 75 3HG1 VAL 75 28.475 5.002 0.831 597 HG21 VAL 75 3HG2 VAL 75 30.665 4.710 2.769 598 HG22 VAL 75 1HG2 VAL 75 31.776 4.789 1.401 599 HG23 VAL 75 2HG2 VAL 75 31.835 6.025 2.658 600 H GLY 76 H GLY 76 30.733 8.675 -0.459 601 HA2 GLY 76 1HA GLY 76 28.132 9.457 -1.079 602 HA3 GLY 76 2HA GLY 76 29.578 10.365 -1.493 603 H ARG 77 H ARG 77 30.670 8.240 -3.171 604 HA ARG 77 HA ARG 77 29.432 8.990 -5.620 605 HB2 ARG 77 1HB ARG 77 31.903 8.213 -5.050 606 HB3 ARG 77 2HB ARG 77 31.255 6.634 -5.476 607 HG2 ARG 77 1HG ARG 77 30.701 8.838 -7.361 608 HG3 ARG 77 2HG ARG 77 32.373 8.285 -7.248 609 HD2 ARG 77 1HD ARG 77 31.253 5.913 -7.429 610 HD3 ARG 77 2HD ARG 77 29.943 6.829 -8.172 611 HE ARG 77 HE ARG 77 32.484 7.465 -9.306 612 HH11 ARG 77 2HH1 ARG 77 29.890 5.144 -9.345 613 HH12 ARG 77 1HH1 ARG 77 30.208 4.621 -10.966 614 HH21 ARG 77 2HH2 ARG 77 32.913 6.784 -11.440 615 HH22 ARG 77 1HH2 ARG 77 31.928 5.554 -12.156 616 H ASN 78 H ASN 78 29.201 6.213 -3.507 617 HA ASN 78 HA ASN 78 27.997 4.390 -5.251 618 HB2 ASN 78 1HB ASN 78 28.436 4.627 -2.402 619 HB3 ASN 78 2HB ASN 78 26.841 3.956 -2.730 620 HD21 ASN 78 2HD2 ASN 78 30.026 3.230 -2.287 621 HD22 ASN 78 1HD2 ASN 78 30.062 1.663 -3.014 622 H VAL 79 H VAL 79 26.690 7.123 -3.515 623 HA VAL 79 HA VAL 79 23.955 6.411 -4.255 624 HB VAL 79 HB VAL 79 23.366 8.512 -2.988 625 HG11 VAL 79 1HG1 VAL 79 23.124 6.376 -1.928 626 HG12 VAL 79 2HG1 VAL 79 24.851 6.305 -1.570 627 HG13 VAL 79 3HG1 VAL 79 23.830 7.495 -0.762 628 HG21 VAL 79 3HG2 VAL 79 26.266 8.391 -2.162 629 HG22 VAL 79 1HG2 VAL 79 25.558 9.610 -3.223 630 HG23 VAL 79 2HG2 VAL 79 25.043 9.499 -1.540 631 H GLY 80 H GLY 80 26.466 7.822 -5.773 632 HA2 GLY 80 1HA GLY 80 26.313 8.808 -7.912 633 HA3 GLY 80 2HA GLY 80 24.676 9.323 -7.532 634 H PHE 81 H PHE 81 26.466 10.053 -4.886 635 HA PHE 81 HA PHE 81 26.626 12.852 -5.665 636 HB2 PHE 81 1HB PHE 81 26.939 11.454 -3.005 637 HB3 PHE 81 2HB PHE 81 27.159 13.187 -3.220 638 HD1 PHE 81 HD1 PHE 81 24.940 13.628 -5.222 639 HD2 PHE 81 HD2 PHE 81 25.083 11.459 -1.563 640 HE1 PHE 81 HE1 PHE 81 22.521 13.973 -4.927 641 HE2 PHE 81 HE2 PHE 81 22.664 11.799 -1.263 642 HZ PHE 81 HZ PHE 81 21.380 13.056 -2.946 643 H ASP 82 H ASP 82 28.433 13.652 -6.480 644 HA ASP 82 HA ASP 82 30.954 12.260 -6.127 645 HB2 ASP 82 1HB ASP 82 31.819 13.967 -7.728 646 HB3 ASP 82 2HB ASP 82 30.449 13.052 -8.351 647 H ASP 83 H ASP 83 29.382 15.187 -5.053 648 HA ASP 83 HA ASP 83 31.805 16.246 -3.861 649 HB2 ASP 83 1HB ASP 83 28.970 17.197 -4.095 650 HB3 ASP 83 2HB ASP 83 30.050 17.940 -2.919 651 H GLN 84 H GLN 84 32.515 15.613 -1.945 652 HA GLN 84 HA GLN 84 31.108 13.880 -0.239 653 HB2 GLN 84 1HB GLN 84 32.933 14.447 1.413 654 HB3 GLN 84 2HB GLN 84 33.482 13.849 -0.147 655 HG2 GLN 84 1HG GLN 84 34.063 16.061 -0.859 656 HG3 GLN 84 2HG GLN 84 33.352 16.760 0.595 657 HE21 GLN 84 2HE2 GLN 84 35.515 14.002 0.064 658 HE22 GLN 84 1HE2 GLN 84 36.764 14.557 1.121 659 H LEU 85 H LEU 85 31.539 17.377 -0.206 660 HA LEU 85 HA LEU 85 30.353 17.810 2.336 661 HB2 LEU 85 1HB LEU 85 31.163 19.474 0.029 662 HB3 LEU 85 2HB LEU 85 29.949 20.158 1.107 663 HG LEU 85 HG LEU 85 32.185 20.922 1.695 664 HD11 LEU 85 1HD1 LEU 85 31.649 20.927 3.856 665 HD12 LEU 85 2HD1 LEU 85 31.790 19.174 3.979 666 HD13 LEU 85 3HD1 LEU 85 30.286 19.899 3.412 667 HD21 LEU 85 3HD2 LEU 85 32.900 18.109 2.449 668 HD22 LEU 85 1HD2 LEU 85 33.952 19.514 2.279 669 HD23 LEU 85 2HD2 LEU 85 33.259 18.753 0.846 670 H TYR 86 H TYR 86 29.096 17.600 -0.934 671 HA TYR 86 HA TYR 86 26.543 18.659 -0.498 672 HB2 TYR 86 1HB TYR 86 27.529 18.145 -2.730 673 HB3 TYR 86 2HB TYR 86 27.279 16.433 -2.408 674 HD1 TYR 86 HD1 TYR 86 24.936 15.570 -2.145 675 HD2 TYR 86 HD2 TYR 86 25.765 19.511 -3.517 676 HE1 TYR 86 HE1 TYR 86 22.655 15.727 -3.051 677 HE2 TYR 86 HE2 TYR 86 23.486 19.680 -4.426 678 HH TYR 86 HH TYR 86 21.145 17.043 -4.020 679 H PHE 87 H PHE 87 27.697 15.304 -0.290 680 HA PHE 87 HA PHE 87 25.224 14.160 0.413 681 HB2 PHE 87 1HB PHE 87 26.999 12.747 -0.382 682 HB3 PHE 87 2HB PHE 87 28.058 13.250 0.931 683 HD1 PHE 87 HD2 PHE 87 24.694 11.708 0.454 684 HD2 PHE 87 HD1 PHE 87 28.309 11.814 2.697 685 HE1 PHE 87 HE2 PHE 87 23.904 9.814 1.812 686 HE2 PHE 87 HE1 PHE 87 27.526 9.920 4.058 687 HZ PHE 87 HZ PHE 87 25.320 8.918 3.616 688 H SER 88 H SER 88 27.879 15.431 2.376 689 HA SER 88 HA SER 88 26.823 14.675 4.883 690 HB2 SER 88 1HB SER 88 28.566 15.894 5.825 691 HB3 SER 88 2HB SER 88 29.209 15.538 4.221 692 HG SER 88 HG SER 88 28.952 17.888 5.291 693 H ARG 89 H ARG 89 26.420 17.546 2.883 694 HA ARG 89 HA ARG 89 25.091 19.151 4.772 695 HB2 ARG 89 1HB ARG 89 25.232 19.109 1.781 696 HB3 ARG 89 2HB ARG 89 24.075 20.168 2.577 697 HG2 ARG 89 1HG ARG 89 25.944 21.175 3.851 698 HG3 ARG 89 2HG ARG 89 27.065 20.181 2.919 699 HD2 ARG 89 1HD ARG 89 25.090 21.987 1.567 700 HD3 ARG 89 2HD ARG 89 26.636 22.601 2.152 701 HE ARG 89 HE ARG 89 27.246 20.387 0.643 702 HH11 ARG 89 2HH1 ARG 89 25.623 23.422 0.118 703 HH12 ARG 89 1HH1 ARG 89 26.068 23.520 -1.554 704 HH21 ARG 89 2HH2 ARG 89 27.839 20.505 -1.557 705 HH22 ARG 89 1HH2 ARG 89 27.328 21.860 -2.505 706 H VAL 90 H VAL 90 23.796 17.029 2.223 707 HA VAL 90 HA VAL 90 21.076 17.432 2.952 708 HB VAL 90 HB VAL 90 22.317 15.184 1.359 709 HG11 VAL 90 1HG1 VAL 90 19.856 15.267 0.413 710 HG12 VAL 90 2HG1 VAL 90 20.258 14.314 1.843 711 HG13 VAL 90 3HG1 VAL 90 19.507 15.900 2.021 712 HG21 VAL 90 3HG2 VAL 90 21.072 16.700 -0.463 713 HG22 VAL 90 1HG2 VAL 90 21.505 17.951 0.703 714 HG23 VAL 90 2HG2 VAL 90 22.760 16.937 -0.010 715 H PHE 91 H PHE 91 23.406 14.828 3.582 716 HA PHE 91 HA PHE 91 21.670 13.134 4.990 717 HB2 PHE 91 1HB PHE 91 23.763 12.267 4.213 718 HB3 PHE 91 2HB PHE 91 24.667 13.474 5.121 719 HD1 PHE 91 HD2 PHE 91 24.941 13.272 7.530 720 HD2 PHE 91 HD1 PHE 91 22.874 10.309 5.279 721 HE1 PHE 91 HE2 PHE 91 25.121 11.712 9.424 722 HE2 PHE 91 HE1 PHE 91 23.050 8.744 7.170 723 HZ PHE 91 HZ PHE 91 24.176 9.445 9.245 724 H LYS 92 H LYS 92 23.610 15.874 6.021 725 HA LYS 92 HA LYS 92 23.463 15.548 8.784 726 HB2 LYS 92 1HB LYS 92 24.924 17.207 7.857 727 HB3 LYS 92 2HB LYS 92 23.581 18.047 7.093 728 HG2 LYS 92 1HG LYS 92 23.303 17.797 9.987 729 HG3 LYS 92 2HG LYS 92 24.725 18.714 9.482 730 HD2 LYS 92 1HD LYS 92 22.844 19.752 7.834 731 HD3 LYS 92 2HD LYS 92 21.862 19.369 9.250 732 HE2 LYS 92 1HE LYS 92 22.702 21.636 9.405 733 HE3 LYS 92 2HE LYS 92 23.433 20.633 10.657 734 HZ1 LYS 92 3HZ LYS 92 25.382 21.346 9.915 735 HZ2 LYS 92 1HZ LYS 92 24.688 22.086 8.560 736 HZ3 LYS 92 2HZ LYS 92 25.126 20.453 8.501 737 H LYS 93 H LYS 93 21.259 17.286 6.602 738 HA LYS 93 HA LYS 93 19.424 17.946 8.704 739 HB2 LYS 93 1HB LYS 93 18.960 18.007 5.718 740 HB3 LYS 93 2HB LYS 93 18.021 18.845 6.946 741 HG2 LYS 93 1HG LYS 93 19.761 20.359 7.398 742 HG3 LYS 93 2HG LYS 93 20.946 19.375 6.535 743 HD2 LYS 93 1HD LYS 93 19.660 19.808 4.436 744 HD3 LYS 93 2HD LYS 93 18.653 20.935 5.349 745 HE2 LYS 93 1HE LYS 93 21.649 21.145 5.070 746 HE3 LYS 93 2HE LYS 93 20.487 22.033 4.085 747 HZ1 LYS 93 3HZ LYS 93 19.827 23.315 5.869 748 HZ2 LYS 93 1HZ LYS 93 21.487 23.156 6.154 749 HZ3 LYS 93 2HZ LYS 93 20.385 22.212 7.024 750 H CYS 94 H CYS 94 19.857 15.292 6.524 751 HA CYS 94 HA CYS 94 17.269 14.238 6.465 752 HB2 CYS 94 1HB CYS 94 20.009 13.111 6.101 753 HB3 CYS 94 2HB CYS 94 18.665 11.990 6.281 754 HG CYS 94 HG CYS 94 17.460 13.921 4.133 755 H THR 95 H THR 95 19.954 13.533 8.690 756 HA THR 95 HA THR 95 18.052 12.171 10.469 757 HB THR 95 HB THR 95 19.980 11.179 11.577 758 HG1 THR 95 HG1 THR 95 22.061 11.670 10.934 759 HG21 THR 95 3HG2 THR 95 20.781 9.762 9.780 760 HG22 THR 95 1HG2 THR 95 20.254 10.939 8.578 761 HG23 THR 95 2HG2 THR 95 19.062 10.083 9.557 762 H GLY 96 H GLY 96 19.662 15.098 10.073 763 HA2 GLY 96 1HA GLY 96 19.279 16.963 11.481 764 HA3 GLY 96 2HA GLY 96 18.984 15.861 12.818 765 H ALA 97 H ALA 97 21.596 14.536 11.561 766 HA ALA 97 HA ALA 97 23.529 16.389 12.759 767 HB1 ALA 97 1HB ALA 97 23.849 13.500 13.381 768 HB2 ALA 97 2HB ALA 97 24.346 14.919 14.303 769 HB3 ALA 97 3HB ALA 97 22.654 14.424 14.292 770 H SER 98 H SER 98 25.642 16.207 11.977 771 HA SER 98 HA SER 98 25.885 15.386 9.288 772 HB2 SER 98 1HB SER 98 28.483 15.631 10.171 773 HB3 SER 98 2HB SER 98 27.483 16.954 9.571 774 HG SER 98 HG SER 98 27.864 17.740 11.492 775 HA PRO 99 HA PRO 99 27.187 11.201 9.454 776 HB2 PRO 99 1HB PRO 99 29.186 11.114 7.620 777 HB3 PRO 99 2HB PRO 99 27.484 11.292 7.178 778 HG2 PRO 99 1HG PRO 99 29.610 13.386 7.406 779 HG3 PRO 99 2HG PRO 99 28.368 13.185 6.157 780 HD2 PRO 99 1HD PRO 99 28.131 14.978 8.173 781 HD3 PRO 99 2HD PRO 99 26.729 14.160 7.453 782 H SER 100 H SER 100 29.748 13.605 9.754 783 HA SER 100 HA SER 100 31.755 11.842 10.696 784 HB2 SER 100 1HB SER 100 31.374 14.811 10.690 785 HB3 SER 100 2HB SER 100 32.650 14.115 11.690 786 HG SER 100 HG SER 100 33.768 13.713 9.956 787 H GLU 101 H GLU 101 29.201 13.658 12.268 788 HA GLU 101 HA GLU 101 30.153 13.212 14.929 789 HB2 GLU 101 1HB GLU 101 28.666 15.107 14.278 790 HB3 GLU 101 2HB GLU 101 27.365 13.951 14.028 791 HG2 GLU 101 1HG GLU 101 26.900 13.844 16.198 792 HG3 GLU 101 2HG GLU 101 28.599 13.689 16.642 793 H PHE 102 H PHE 102 27.579 11.780 12.941 794 HA PHE 102 HA PHE 102 26.630 9.955 14.836 795 HB2 PHE 102 1HB PHE 102 25.461 10.515 12.723 796 HB3 PHE 102 2HB PHE 102 26.689 9.624 11.830 797 HD1 PHE 102 HD2 PHE 102 26.844 7.176 12.046 798 HD2 PHE 102 HD1 PHE 102 23.703 9.398 13.865 799 HE1 PHE 102 HE2 PHE 102 25.545 5.105 12.323 800 HE2 PHE 102 HE1 PHE 102 22.399 7.330 14.146 801 HZ PHE 102 HZ PHE 102 23.319 5.181 13.374 802 H ARG 103 H ARG 103 29.196 9.653 12.419 803 HA ARG 103 HA ARG 103 29.749 6.918 12.922 804 HB2 ARG 103 1HB ARG 103 30.428 8.436 10.912 805 HB3 ARG 103 2HB ARG 103 31.819 8.837 11.910 806 HG2 ARG 103 1HG ARG 103 32.385 6.444 12.040 807 HG3 ARG 103 2HG ARG 103 31.025 6.088 10.972 808 HD2 ARG 103 1HD ARG 103 32.033 7.106 9.144 809 HD3 ARG 103 2HD ARG 103 33.121 8.059 10.151 810 HE ARG 103 HE ARG 103 33.671 5.313 10.480 811 HH11 ARG 103 2HH1 ARG 103 34.010 7.895 8.169 812 HH12 ARG 103 1HH1 ARG 103 35.414 7.212 7.416 813 HH21 ARG 103 2HH2 ARG 103 35.518 4.404 9.497 814 HH22 ARG 103 1HH2 ARG 103 36.270 5.226 8.172 815 H ALA 104 H ALA 104 30.870 9.919 14.336 816 HA ALA 104 HA ALA 104 33.015 8.715 15.816 817 HB1 ALA 104 1HB ALA 104 31.776 11.422 15.695 818 HB2 ALA 104 2HB ALA 104 32.795 11.006 17.073 819 HB3 ALA 104 3HB ALA 104 33.452 10.935 15.438 820 H GLY 105 H GLY 105 29.624 9.233 16.310 821 HA2 GLY 105 1HA GLY 105 28.286 8.237 17.934 822 HA3 GLY 105 2HA GLY 105 29.738 7.716 18.775 823 H CYS 106 H CYS 106 29.820 10.996 17.964 824 HA CYS 106 HA CYS 106 29.701 11.772 20.717 825 HB2 CYS 106 1HB CYS 106 31.247 12.878 19.192 826 HB3 CYS 106 2HB CYS 106 29.906 13.432 18.196 827 HG CYS 106 HG CYS 106 29.690 14.392 21.393 828 H GLU 107 H GLU 107 28.057 12.630 21.838 829 HA GLU 107 HA GLU 107 25.600 13.316 20.363 830 HB2 GLU 107 1HB GLU 107 25.540 11.160 21.718 831 HB3 GLU 107 2HB GLU 107 25.656 12.172 23.151 832 HG2 GLU 107 1HG GLU 107 23.576 13.246 22.632 833 HG3 GLU 107 2HG GLU 107 23.483 12.406 21.085 Start of MODEL 7 1 H1 MET 1 H MET 1 0.008 0.588 -0.061 2 HA MET 1 HA MET 1 2.033 1.500 -1.768 3 HB2 MET 1 1HB MET 1 3.103 0.317 0.504 4 HB3 MET 1 2HB MET 1 3.153 -0.967 -0.697 5 HG2 MET 1 1HG MET 1 5.161 -0.006 -1.105 6 HG3 MET 1 2HG MET 1 4.163 0.955 -2.194 7 HE1 MET 1 3HE MET 1 6.737 1.751 -1.718 8 HE2 MET 1 1HE MET 1 6.123 3.386 -1.966 9 HE3 MET 1 2HE MET 1 7.106 3.020 -0.549 10 H ASP 2 H ASP 2 0.616 0.956 -3.380 11 HA ASP 2 HA ASP 2 -0.543 -1.670 -3.558 12 HB2 ASP 2 1HB ASP 2 -1.349 -0.835 -5.798 13 HB3 ASP 2 2HB ASP 2 -1.851 0.136 -4.416 14 H ASN 3 H ASN 3 -0.115 -3.244 -5.137 15 HA ASN 3 HA ASN 3 2.543 -3.822 -5.643 16 HB2 ASN 3 1HB ASN 3 1.760 -5.564 -7.120 17 HB3 ASN 3 2HB ASN 3 0.650 -5.448 -5.757 18 HD21 ASN 3 2HD2 ASN 3 -1.435 -4.809 -6.091 19 HD22 ASN 3 1HD2 ASN 3 -2.121 -4.592 -7.661 20 H ARG 4 H ARG 4 0.342 -1.813 -7.423 21 HA ARG 4 HA ARG 4 1.750 -1.770 -9.884 22 HB2 ARG 4 1HB ARG 4 -0.538 -0.426 -8.704 23 HB3 ARG 4 2HB ARG 4 0.439 0.680 -9.661 24 HG2 ARG 4 1HG ARG 4 0.030 -0.439 -11.625 25 HG3 ARG 4 2HG ARG 4 -0.309 -1.966 -10.808 26 HD2 ARG 4 1HD ARG 4 -2.343 -0.986 -11.740 27 HD3 ARG 4 2HD ARG 4 -2.418 -1.068 -9.981 28 HE ARG 4 HE ARG 4 -1.432 1.450 -10.761 29 HH11 ARG 4 2HH1 ARG 4 -4.369 -0.420 -10.764 30 HH12 ARG 4 1HH1 ARG 4 -5.406 0.967 -10.695 31 HH21 ARG 4 2HH2 ARG 4 -2.786 3.283 -10.670 32 HH22 ARG 4 1HH2 ARG 4 -4.504 3.072 -10.642 33 H VAL 5 H VAL 5 1.694 0.480 -7.126 34 HA VAL 5 HA VAL 5 3.685 2.205 -8.198 35 HB VAL 5 HB VAL 5 2.653 1.871 -5.382 36 HG11 VAL 5 1HG1 VAL 5 3.781 4.392 -5.591 37 HG12 VAL 5 2HG1 VAL 5 4.447 3.014 -4.713 38 HG13 VAL 5 3HG1 VAL 5 4.953 3.332 -6.372 39 HG21 VAL 5 3HG2 VAL 5 2.192 4.218 -7.182 40 HG22 VAL 5 1HG2 VAL 5 1.197 2.769 -7.324 41 HG23 VAL 5 2HG2 VAL 5 1.240 3.664 -5.805 42 H ARG 6 H ARG 6 3.746 -0.532 -5.974 43 HA ARG 6 HA ARG 6 6.342 -0.325 -5.019 44 HB2 ARG 6 1HB ARG 6 4.423 -2.029 -4.486 45 HB3 ARG 6 2HB ARG 6 5.204 -3.004 -5.723 46 HG2 ARG 6 1HG ARG 6 6.330 -3.805 -3.944 47 HG3 ARG 6 2HG ARG 6 7.347 -2.395 -4.247 48 HD2 ARG 6 1HD ARG 6 6.357 -1.170 -2.511 49 HD3 ARG 6 2HD ARG 6 4.973 -2.258 -2.417 50 HE ARG 6 HE ARG 6 7.502 -2.566 -1.109 51 HH11 ARG 6 2HH1 ARG 6 4.750 -4.262 -2.401 52 HH12 ARG 6 1HH1 ARG 6 4.957 -5.644 -1.377 53 HH21 ARG 6 2HH2 ARG 6 7.785 -4.380 0.245 54 HH22 ARG 6 1HH2 ARG 6 6.683 -5.710 0.128 55 H GLU 7 H GLU 7 5.165 -1.788 -8.019 56 HA GLU 7 HA GLU 7 7.616 -2.872 -8.872 57 HB2 GLU 7 1HB GLU 7 4.991 -2.302 -10.075 58 HB3 GLU 7 2HB GLU 7 6.331 -2.294 -11.212 59 HG2 GLU 7 1HG GLU 7 5.515 -4.546 -9.394 60 HG3 GLU 7 2HG GLU 7 5.359 -4.482 -11.148 61 H ALA 8 H ALA 8 6.071 0.247 -9.582 62 HA ALA 8 HA ALA 8 8.000 1.243 -11.338 63 HB1 ALA 8 1HB ALA 8 6.886 3.331 -9.685 64 HB2 ALA 8 2HB ALA 8 6.637 2.998 -11.400 65 HB3 ALA 8 3HB ALA 8 5.646 2.183 -10.191 66 H CYS 9 H CYS 9 7.880 1.215 -7.824 67 HA CYS 9 HA CYS 9 9.943 3.028 -7.298 68 HB2 CYS 9 1HB CYS 9 8.809 0.692 -5.791 69 HB3 CYS 9 2HB CYS 9 10.211 1.553 -5.168 70 HG CYS 9 HG CYS 9 8.323 2.747 -3.731 71 H GLN 10 H GLN 10 10.017 -0.395 -8.103 72 HA GLN 10 HA GLN 10 12.737 -0.853 -7.517 73 HB2 GLN 10 1HB GLN 10 10.801 -2.226 -9.374 74 HB3 GLN 10 2HB GLN 10 12.455 -2.782 -9.156 75 HG2 GLN 10 1HG GLN 10 10.730 -2.387 -6.762 76 HG3 GLN 10 2HG GLN 10 10.497 -3.814 -7.770 77 HE21 GLN 10 2HE2 GLN 10 11.191 -4.280 -5.265 78 HE22 GLN 10 1HE2 GLN 10 12.844 -4.765 -5.138 79 H TYR 11 H TYR 11 11.084 0.330 -10.387 80 HA TYR 11 HA TYR 11 13.314 0.207 -12.129 81 HB2 TYR 11 1HB TYR 11 11.164 0.359 -13.128 82 HB3 TYR 11 2HB TYR 11 10.749 1.792 -12.193 83 HD1 TYR 11 HD2 TYR 11 12.898 0.545 -14.941 84 HD2 TYR 11 HD1 TYR 11 11.267 3.956 -12.989 85 HE1 TYR 11 HE2 TYR 11 13.680 1.968 -16.787 86 HE2 TYR 11 HE1 TYR 11 12.044 5.389 -14.831 87 HH TYR 11 HH TYR 11 13.816 4.027 -17.595 88 H ILE 12 H ILE 12 12.011 2.746 -10.043 89 HA ILE 12 HA ILE 12 13.692 4.832 -10.872 90 HB ILE 12 HB ILE 12 12.492 4.384 -8.136 91 HG12 ILE 12 1HG1 ILE 12 11.445 6.093 -10.396 92 HG13 ILE 12 2HG1 ILE 12 10.899 4.446 -10.100 93 HG21 ILE 12 1HG2 ILE 12 13.534 6.234 -7.494 94 HG22 ILE 12 2HG2 ILE 12 14.313 6.350 -9.070 95 HG23 ILE 12 3HG2 ILE 12 12.755 7.129 -8.798 96 HD11 ILE 12 3HD1 ILE 12 10.769 6.507 -7.941 97 HD12 ILE 12 1HD1 ILE 12 9.516 6.404 -9.178 98 HD13 ILE 12 2HD1 ILE 12 9.835 5.023 -8.127 99 H SER 13 H SER 13 14.149 2.261 -8.512 100 HA SER 13 HA SER 13 16.433 3.213 -7.229 101 HB2 SER 13 1HB SER 13 15.419 1.328 -6.253 102 HB3 SER 13 2HB SER 13 15.405 0.436 -7.774 103 HG SER 13 HG SER 13 17.491 0.846 -5.961 104 H ASP 14 H ASP 14 16.050 1.586 -10.311 105 HA ASP 14 HA ASP 14 18.789 1.013 -10.754 106 HB2 ASP 14 1HB ASP 14 16.862 -0.033 -11.979 107 HB3 ASP 14 2HB ASP 14 16.665 1.484 -12.852 108 H HIS 15 H HIS 15 16.776 3.818 -11.373 109 HA HIS 15 HA HIS 15 18.955 5.174 -12.762 110 HB2 HIS 15 1HB HIS 15 16.088 5.964 -12.228 111 HB3 HIS 15 2HB HIS 15 17.253 7.010 -13.035 112 HD1 HIS 15 HD1 HIS 15 17.064 6.917 -15.487 113 HD2 HIS 15 HD2 HIS 15 15.987 3.309 -13.730 114 HE1 HIS 15 HE1 HIS 15 16.387 5.418 -17.390 115 H LEU 16 H LEU 16 18.764 4.503 -9.774 116 HA LEU 16 HA LEU 16 18.486 6.871 -8.303 117 HB2 LEU 16 1HB LEU 16 18.603 4.525 -7.411 118 HB3 LEU 16 2HB LEU 16 20.347 4.594 -7.656 119 HG LEU 16 HG LEU 16 20.060 6.766 -6.130 120 HD11 LEU 16 1HD1 LEU 16 18.363 5.539 -4.336 121 HD12 LEU 16 2HD1 LEU 16 17.547 5.336 -5.886 122 HD13 LEU 16 3HD1 LEU 16 17.992 6.949 -5.329 123 HD21 LEU 16 3HD2 LEU 16 20.578 5.281 -4.185 124 HD22 LEU 16 1HD2 LEU 16 21.582 5.005 -5.608 125 HD23 LEU 16 2HD2 LEU 16 20.262 3.897 -5.233 126 H ALA 17 H ALA 17 21.154 5.593 -10.159 127 HA ALA 17 HA ALA 17 22.956 7.675 -9.188 128 HB1 ALA 17 1HB ALA 17 24.298 6.292 -11.164 129 HB2 ALA 17 2HB ALA 17 24.402 5.996 -9.428 130 HB3 ALA 17 3HB ALA 17 23.277 5.064 -10.416 131 H ASP 18 H ASP 18 20.876 6.993 -11.834 132 HA ASP 18 HA ASP 18 22.127 8.499 -13.859 133 HB2 ASP 18 1HB ASP 18 20.068 6.855 -13.920 134 HB3 ASP 18 2HB ASP 18 19.144 8.337 -13.684 135 H SER 19 H SER 19 21.876 10.615 -14.527 136 HA SER 19 HA SER 19 21.154 12.482 -12.429 137 HB2 SER 19 1HB SER 19 22.534 12.728 -15.088 138 HB3 SER 19 2HB SER 19 21.950 14.164 -14.247 139 HG SER 19 HG SER 19 24.072 13.773 -13.639 140 H ASN 20 H ASN 20 20.253 11.932 -15.830 141 HA ASN 20 HA ASN 20 17.988 13.728 -15.576 142 HB2 ASN 20 1HB ASN 20 19.045 12.088 -17.885 143 HB3 ASN 20 2HB ASN 20 17.601 13.091 -17.987 144 HD21 ASN 20 2HD2 ASN 20 21.018 13.013 -17.997 145 HD22 ASN 20 1HD2 ASN 20 21.282 14.702 -18.247 146 H PHE 21 H PHE 21 16.411 12.863 -14.336 147 HA PHE 21 HA PHE 21 15.642 10.081 -14.658 148 HB2 PHE 21 1HB PHE 21 15.670 10.838 -12.399 149 HB3 PHE 21 2HB PHE 21 14.731 12.273 -12.797 150 HD1 PHE 21 HD2 PHE 21 14.427 8.562 -13.053 151 HD2 PHE 21 HD1 PHE 21 12.521 12.271 -12.202 152 HE1 PHE 21 HE2 PHE 21 12.358 7.362 -12.475 153 HE2 PHE 21 HE1 PHE 21 10.450 11.077 -11.621 154 HZ PHE 21 HZ PHE 21 10.366 8.620 -11.759 155 H ASP 22 H ASP 22 13.834 9.349 -15.642 156 HA ASP 22 HA ASP 22 12.097 11.365 -16.911 157 HB2 ASP 22 1HB ASP 22 13.651 9.494 -18.186 158 HB3 ASP 22 2HB ASP 22 12.090 8.681 -18.101 159 H ILE 23 H ILE 23 10.488 11.461 -15.392 160 HA ILE 23 HA ILE 23 9.390 9.334 -13.970 161 HB ILE 23 HB ILE 23 8.992 11.761 -13.505 162 HG12 ILE 23 1HG1 ILE 23 6.628 11.439 -12.774 163 HG13 ILE 23 2HG1 ILE 23 6.572 9.960 -13.727 164 HG21 ILE 23 1HG2 ILE 23 8.440 12.324 -15.884 165 HG22 ILE 23 2HG2 ILE 23 6.873 11.558 -15.633 166 HG23 ILE 23 3HG2 ILE 23 7.321 12.978 -14.688 167 HD11 ILE 23 3HD1 ILE 23 8.439 10.469 -11.424 168 HD12 ILE 23 1HD1 ILE 23 6.946 9.535 -11.346 169 HD13 ILE 23 2HD1 ILE 23 8.287 8.971 -12.342 170 H ALA 24 H ALA 24 8.951 10.276 -17.260 171 HA ALA 24 HA ALA 24 6.434 9.163 -17.793 172 HB1 ALA 24 1HB ALA 24 7.273 10.538 -19.469 173 HB2 ALA 24 2HB ALA 24 8.836 9.720 -19.494 174 HB3 ALA 24 3HB ALA 24 7.413 8.923 -20.164 175 H SER 25 H SER 25 9.678 7.730 -17.940 176 HA SER 25 HA SER 25 8.880 5.212 -18.916 177 HB2 SER 25 1HB SER 25 11.279 5.876 -17.191 178 HB3 SER 25 2HB SER 25 11.079 4.429 -18.179 179 HG SER 25 HG SER 25 11.238 5.646 -20.003 180 H VAL 26 H VAL 26 8.892 6.602 -15.724 181 HA VAL 26 HA VAL 26 8.709 4.214 -14.225 182 HB VAL 26 HB VAL 26 7.658 6.962 -13.537 183 HG11 VAL 26 1HG1 VAL 26 7.738 6.206 -11.220 184 HG12 VAL 26 2HG1 VAL 26 6.646 5.200 -12.174 185 HG13 VAL 26 3HG1 VAL 26 8.253 4.605 -11.751 186 HG21 VAL 26 3HG2 VAL 26 9.870 6.703 -12.057 187 HG22 VAL 26 1HG2 VAL 26 10.341 5.718 -13.443 188 HG23 VAL 26 2HG2 VAL 26 9.880 7.404 -13.675 189 H ALA 27 H ALA 27 6.206 6.451 -15.406 190 HA ALA 27 HA ALA 27 4.021 4.943 -14.412 191 HB1 ALA 27 1HB ALA 27 4.360 7.427 -15.612 192 HB2 ALA 27 2HB ALA 27 3.348 6.520 -16.737 193 HB3 ALA 27 3HB ALA 27 2.844 6.716 -15.058 194 H GLN 28 H GLN 28 5.638 5.075 -17.558 195 HA GLN 28 HA GLN 28 3.866 3.400 -18.951 196 HB2 GLN 28 1HB GLN 28 5.516 4.784 -20.096 197 HB3 GLN 28 2HB GLN 28 6.824 3.854 -19.377 198 HG2 GLN 28 1HG GLN 28 6.553 3.134 -21.626 199 HG3 GLN 28 2HG GLN 28 5.973 1.848 -20.568 200 HE21 GLN 28 2HE2 GLN 28 4.786 1.024 -22.345 201 HE22 GLN 28 1HE2 GLN 28 3.288 1.741 -22.818 202 H HIS 29 H HIS 29 6.658 2.699 -16.928 203 HA HIS 29 HA HIS 29 6.999 0.000 -17.542 204 HB2 HIS 29 1HB HIS 29 8.670 1.083 -16.236 205 HB3 HIS 29 2HB HIS 29 7.503 1.551 -15.003 206 HD1 HIS 29 HD1 HIS 29 7.847 -1.935 -16.415 207 HD2 HIS 29 HD2 HIS 29 8.585 0.155 -12.901 208 HE1 HIS 29 HE1 HIS 29 8.466 -3.679 -14.713 209 H VAL 30 H VAL 30 4.718 1.595 -15.404 210 HA VAL 30 HA VAL 30 3.649 -0.987 -14.532 211 HB VAL 30 HB VAL 30 2.257 0.328 -12.977 212 HG11 VAL 30 1HG1 VAL 30 4.296 1.381 -11.722 213 HG12 VAL 30 2HG1 VAL 30 4.186 -0.368 -11.932 214 HG13 VAL 30 3HG1 VAL 30 5.230 0.585 -12.988 215 HG21 VAL 30 3HG2 VAL 30 3.809 2.763 -13.800 216 HG22 VAL 30 1HG2 VAL 30 2.256 2.360 -14.533 217 HG23 VAL 30 2HG2 VAL 30 2.362 2.662 -12.798 218 H CYS 31 H CYS 31 3.328 0.372 -17.255 219 HA CYS 31 HA CYS 31 1.714 0.693 -18.832 220 HB2 CYS 31 1HB CYS 31 0.164 -1.257 -17.117 221 HB3 CYS 31 2HB CYS 31 -0.113 -0.915 -18.820 222 HG CYS 31 HG CYS 31 1.064 -3.314 -18.983 223 H LEU 32 H LEU 32 1.726 2.598 -16.725 224 HA LEU 32 HA LEU 32 -1.082 3.442 -16.840 225 HB2 LEU 32 1HB LEU 32 -0.465 2.425 -14.604 226 HB3 LEU 32 2HB LEU 32 0.618 3.798 -14.384 227 HG LEU 32 HG LEU 32 -1.279 5.325 -14.440 228 HD11 LEU 32 1HD1 LEU 32 -2.781 2.826 -15.090 229 HD12 LEU 32 2HD1 LEU 32 -2.876 4.420 -15.838 230 HD13 LEU 32 3HD1 LEU 32 -3.586 4.150 -14.246 231 HD21 LEU 32 3HD2 LEU 32 -0.530 4.161 -12.322 232 HD22 LEU 32 1HD2 LEU 32 -1.915 3.088 -12.531 233 HD23 LEU 32 2HD2 LEU 32 -2.166 4.820 -12.309 234 H SER 33 H SER 33 -1.336 5.789 -16.356 235 HA SER 33 HA SER 33 0.617 7.281 -17.844 236 HB2 SER 33 1HB SER 33 -2.064 7.850 -16.661 237 HB3 SER 33 2HB SER 33 -1.013 9.215 -17.035 238 HG SER 33 HG SER 33 -0.860 8.355 -19.181 239 HA PRO 34 HA PRO 34 3.038 8.994 -14.612 240 HB2 PRO 34 1HB PRO 34 3.428 11.539 -15.472 241 HB3 PRO 34 2HB PRO 34 4.202 10.140 -16.227 242 HG2 PRO 34 1HG PRO 34 1.769 11.654 -17.093 243 HG3 PRO 34 2HG PRO 34 3.117 11.047 -18.072 244 HD2 PRO 34 1HD PRO 34 0.737 9.765 -17.915 245 HD3 PRO 34 2HD PRO 34 2.274 8.903 -18.130 246 H SER 35 H SER 35 0.312 11.037 -15.614 247 HA SER 35 HA SER 35 0.244 12.607 -13.258 248 HB2 SER 35 1HB SER 35 -1.861 12.030 -15.351 249 HB3 SER 35 2HB SER 35 -2.087 13.182 -14.034 250 HG SER 35 HG SER 35 -0.802 13.517 -16.367 251 H ARG 36 H ARG 36 -1.596 9.749 -14.285 252 HA ARG 36 HA ARG 36 -3.169 9.588 -11.930 253 HB2 ARG 36 1HB ARG 36 -2.527 7.657 -14.144 254 HB3 ARG 36 2HB ARG 36 -3.473 7.156 -12.749 255 HG2 ARG 36 1HG ARG 36 -4.224 9.529 -14.426 256 HG3 ARG 36 2HG ARG 36 -4.755 7.889 -14.805 257 HD2 ARG 36 1HD ARG 36 -5.748 7.735 -12.543 258 HD3 ARG 36 2HD ARG 36 -5.292 9.414 -12.260 259 HE ARG 36 HE ARG 36 -6.754 9.554 -14.527 260 HH11 ARG 36 2HH1 ARG 36 -7.324 8.120 -11.407 261 HH12 ARG 36 1HH1 ARG 36 -9.040 8.344 -11.472 262 HH21 ARG 36 2HH2 ARG 36 -9.013 9.854 -14.625 263 HH22 ARG 36 1HH2 ARG 36 -10.000 9.329 -13.304 264 H LEU 37 H LEU 37 -0.138 8.074 -12.937 265 HA LEU 37 HA LEU 37 0.102 6.370 -10.681 266 HB2 LEU 37 1HB LEU 37 1.309 5.873 -12.692 267 HB3 LEU 37 2HB LEU 37 2.140 7.426 -12.631 268 HG LEU 37 HG LEU 37 3.044 6.473 -10.346 269 HD11 LEU 37 1HD1 LEU 37 3.468 3.904 -11.181 270 HD12 LEU 37 2HD1 LEU 37 1.782 4.172 -11.623 271 HD13 LEU 37 3HD1 LEU 37 2.303 4.402 -9.954 272 HD21 LEU 37 3HD2 LEU 37 4.510 5.102 -12.405 273 HD22 LEU 37 1HD2 LEU 37 4.954 6.534 -11.477 274 HD23 LEU 37 2HD2 LEU 37 4.014 6.702 -12.960 275 H SER 38 H SER 38 1.420 9.569 -11.456 276 HA SER 38 HA SER 38 3.019 9.885 -9.182 277 HB2 SER 38 1HB SER 38 2.908 12.298 -9.657 278 HB3 SER 38 2HB SER 38 3.168 11.369 -11.134 279 HG SER 38 HG SER 38 0.735 12.505 -10.219 280 H HIS 39 H HIS 39 -0.396 10.596 -9.731 281 HA HIS 39 HA HIS 39 -0.925 11.954 -7.343 282 HB2 HIS 39 1HB HIS 39 -2.496 11.860 -9.243 283 HB3 HIS 39 2HB HIS 39 -2.782 10.153 -8.914 284 HD1 HIS 39 HD1 HIS 39 -3.972 13.483 -8.067 285 HD2 HIS 39 HD2 HIS 39 -4.071 9.715 -6.319 286 HE1 HIS 39 HE1 HIS 39 -5.771 13.602 -6.313 287 H LEU 40 H LEU 40 -1.203 8.491 -8.104 288 HA LEU 40 HA LEU 40 -1.994 7.756 -5.467 289 HB2 LEU 40 1HB LEU 40 -0.818 6.064 -7.667 290 HB3 LEU 40 2HB LEU 40 -1.612 5.459 -6.215 291 HG LEU 40 HG LEU 40 -2.899 6.980 -8.480 292 HD11 LEU 40 1HD1 LEU 40 -3.415 5.005 -9.348 293 HD12 LEU 40 2HD1 LEU 40 -4.043 4.430 -7.804 294 HD13 LEU 40 3HD1 LEU 40 -2.327 4.263 -8.174 295 HD21 LEU 40 3HD2 LEU 40 -4.014 6.034 -5.846 296 HD22 LEU 40 1HD2 LEU 40 -5.011 6.489 -7.228 297 HD23 LEU 40 2HD2 LEU 40 -3.962 7.685 -6.467 298 H PHE 41 H PHE 41 1.066 8.086 -7.119 299 HA PHE 41 HA PHE 41 2.703 6.616 -5.397 300 HB2 PHE 41 1HB PHE 41 3.108 8.102 -7.659 301 HB3 PHE 41 2HB PHE 41 3.892 9.098 -6.437 302 HD1 PHE 41 HD2 PHE 41 5.825 8.267 -5.209 303 HD2 PHE 41 HD1 PHE 41 3.988 5.960 -8.277 304 HE1 PHE 41 HE2 PHE 41 7.810 6.816 -5.301 305 HE2 PHE 41 HE1 PHE 41 5.969 4.504 -8.374 306 HZ PHE 41 HZ PHE 41 7.884 4.932 -6.886 307 H ARG 42 H ARG 42 1.884 10.079 -5.326 308 HA ARG 42 HA ARG 42 3.312 10.615 -2.934 309 HB2 ARG 42 1HB ARG 42 2.749 12.378 -4.539 310 HB3 ARG 42 2HB ARG 42 1.037 12.137 -4.219 311 HG2 ARG 42 1HG ARG 42 2.594 12.668 -1.813 312 HG3 ARG 42 2HG ARG 42 2.653 13.975 -2.997 313 HD2 ARG 42 1HD ARG 42 0.029 13.439 -3.062 314 HD3 ARG 42 2HD ARG 42 0.382 12.946 -1.406 315 HE ARG 42 HE ARG 42 1.551 15.418 -1.714 316 HH11 ARG 42 2HH1 ARG 42 -1.659 14.092 -1.961 317 HH12 ARG 42 1HH1 ARG 42 -2.444 15.561 -1.485 318 HH21 ARG 42 2HH2 ARG 42 0.529 17.359 -1.086 319 HH22 ARG 42 1HH2 ARG 42 -1.198 17.419 -0.988 320 H GLN 43 H GLN 43 0.162 9.351 -3.605 321 HA GLN 43 HA GLN 43 -0.938 9.913 -1.012 322 HB2 GLN 43 1HB GLN 43 -1.822 8.333 -3.397 323 HB3 GLN 43 2HB GLN 43 -2.643 8.112 -1.858 324 HG2 GLN 43 1HG GLN 43 -2.263 10.881 -2.854 325 HG3 GLN 43 2HG GLN 43 -3.468 9.866 -3.643 326 HE21 GLN 43 2HE2 GLN 43 -4.702 11.794 -2.678 327 HE22 GLN 43 1HE2 GLN 43 -5.395 11.528 -1.117 328 H GLN 44 H GLN 44 0.517 7.116 -2.609 329 HA GLN 44 HA GLN 44 0.144 5.418 -0.308 330 HB2 GLN 44 1HB GLN 44 1.803 4.956 -2.792 331 HB3 GLN 44 2HB GLN 44 1.358 3.740 -1.603 332 HG2 GLN 44 1HG GLN 44 -0.829 5.249 -2.915 333 HG3 GLN 44 2HG GLN 44 0.038 4.049 -3.872 334 HE21 GLN 44 2HE2 GLN 44 -2.064 2.997 -3.934 335 HE22 GLN 44 1HE2 GLN 44 -2.524 1.965 -2.627 336 H LEU 45 H LEU 45 2.792 7.202 -1.808 337 HA LEU 45 HA LEU 45 4.681 6.279 0.196 338 HB2 LEU 45 1HB LEU 45 4.896 7.154 -2.432 339 HB3 LEU 45 2HB LEU 45 5.591 8.462 -1.476 340 HG LEU 45 HG LEU 45 6.481 5.628 -1.073 341 HD11 LEU 45 1HD1 LEU 45 6.717 6.001 -3.445 342 HD12 LEU 45 2HD1 LEU 45 8.303 6.067 -2.677 343 HD13 LEU 45 3HD1 LEU 45 7.492 7.559 -3.156 344 HD21 LEU 45 3HD2 LEU 45 8.136 8.109 -0.861 345 HD22 LEU 45 1HD2 LEU 45 8.326 6.561 -0.038 346 HD23 LEU 45 2HD2 LEU 45 7.034 7.662 0.442 347 H GLY 46 H GLY 46 2.486 8.847 -0.241 348 HA2 GLY 46 1HA GLY 46 1.972 10.640 1.103 349 HA3 GLY 46 2HA GLY 46 3.085 9.978 2.291 350 H ILE 47 H ILE 47 4.630 10.364 -0.654 351 HA ILE 47 HA ILE 47 5.367 13.145 -0.235 352 HB ILE 47 HB ILE 47 7.738 12.743 -0.082 353 HG12 ILE 47 1HG1 ILE 47 7.036 9.800 -0.126 354 HG13 ILE 47 2HG1 ILE 47 7.847 10.686 -1.412 355 HG21 ILE 47 1HG2 ILE 47 6.237 11.078 1.935 356 HG22 ILE 47 2HG2 ILE 47 7.865 11.722 2.139 357 HG23 ILE 47 3HG2 ILE 47 6.492 12.821 2.009 358 HD11 ILE 47 3HD1 ILE 47 9.704 11.152 0.167 359 HD12 ILE 47 1HD1 ILE 47 8.907 10.103 1.339 360 HD13 ILE 47 2HD1 ILE 47 9.475 9.441 -0.194 361 H SER 48 H SER 48 7.117 13.762 -1.925 362 HA SER 48 HA SER 48 6.064 13.026 -4.493 363 HB2 SER 48 1HB SER 48 8.005 14.584 -5.260 364 HB3 SER 48 2HB SER 48 6.647 15.286 -4.382 365 HG SER 48 HG SER 48 9.052 15.643 -3.735 366 H VAL 49 H VAL 49 7.140 12.001 -6.185 367 HA VAL 49 HA VAL 49 8.674 9.775 -5.582 368 HB VAL 49 HB VAL 49 8.708 11.233 -8.226 369 HG11 VAL 49 1HG1 VAL 49 9.161 9.050 -9.178 370 HG12 VAL 49 2HG1 VAL 49 10.384 9.448 -7.969 371 HG13 VAL 49 3HG1 VAL 49 9.091 8.312 -7.577 372 HG21 VAL 49 3HG2 VAL 49 6.893 9.071 -8.264 373 HG22 VAL 49 1HG2 VAL 49 6.520 10.038 -6.836 374 HG23 VAL 49 2HG2 VAL 49 6.541 10.791 -8.431 375 H LEU 50 H LEU 50 9.733 12.969 -6.702 376 HA LEU 50 HA LEU 50 12.466 12.368 -6.950 377 HB2 LEU 50 1HB LEU 50 11.288 15.032 -6.186 378 HB3 LEU 50 2HB LEU 50 12.838 14.734 -6.970 379 HG LEU 50 HG LEU 50 10.485 13.763 -8.447 380 HD11 LEU 50 1HD1 LEU 50 9.436 15.736 -7.698 381 HD12 LEU 50 2HD1 LEU 50 10.060 16.104 -9.306 382 HD13 LEU 50 3HD1 LEU 50 10.913 16.682 -7.875 383 HD21 LEU 50 3HD2 LEU 50 12.383 15.628 -9.671 384 HD22 LEU 50 1HD2 LEU 50 11.853 14.031 -10.202 385 HD23 LEU 50 2HD2 LEU 50 13.123 14.180 -8.986 386 H SER 51 H SER 51 10.509 13.307 -4.196 387 HA SER 51 HA SER 51 12.703 13.819 -2.444 388 HB2 SER 51 1HB SER 51 10.416 14.754 -2.106 389 HB3 SER 51 2HB SER 51 9.844 13.130 -1.723 390 HG SER 51 HG SER 51 10.404 13.667 0.233 391 H TRP 52 H TRP 52 10.567 11.049 -2.997 392 HA TRP 52 HA TRP 52 11.498 9.403 -0.943 393 HB2 TRP 52 1HB TRP 52 9.494 8.812 -2.129 394 HB3 TRP 52 2HB TRP 52 10.363 8.716 -3.658 395 HD1 TRP 52 HD1 TRP 52 10.475 6.909 -0.215 396 HE1 TRP 52 HE1 TRP 52 10.968 4.421 -0.651 397 HE3 TRP 52 HE3 TRP 52 10.990 7.062 -5.299 398 HZ2 TRP 52 HZ2 TRP 52 11.505 2.745 -2.858 399 HZ3 TRP 52 HZ3 TRP 52 11.493 4.973 -6.497 400 HH2 TRP 52 HH2 TRP 52 11.746 2.860 -5.300 401 H ARG 53 H ARG 53 12.697 9.876 -4.232 402 HA ARG 53 HA ARG 53 14.594 7.813 -4.259 403 HB2 ARG 53 1HB ARG 53 13.736 9.584 -6.095 404 HB3 ARG 53 2HB ARG 53 15.269 10.332 -5.668 405 HG2 ARG 53 1HG ARG 53 16.384 8.155 -6.147 406 HG3 ARG 53 2HG ARG 53 14.834 7.558 -6.745 407 HD2 ARG 53 1HD ARG 53 16.415 9.888 -7.824 408 HD3 ARG 53 2HD ARG 53 16.188 8.320 -8.597 409 HE ARG 53 HE ARG 53 14.008 8.928 -9.155 410 HH11 ARG 53 2HH1 ARG 53 15.577 11.396 -7.266 411 HH12 ARG 53 1HH1 ARG 53 14.398 12.611 -7.635 412 HH21 ARG 53 2HH2 ARG 53 12.450 10.519 -9.648 413 HH22 ARG 53 1HH2 ARG 53 12.619 12.111 -8.990 414 H GLU 54 H GLU 54 14.910 11.228 -3.330 415 HA GLU 54 HA GLU 54 17.662 11.103 -2.699 416 HB2 GLU 54 1HB GLU 54 16.497 13.220 -3.122 417 HB3 GLU 54 2HB GLU 54 15.536 12.990 -1.668 418 HG2 GLU 54 1HG GLU 54 17.619 13.058 -0.335 419 HG3 GLU 54 2HG GLU 54 18.510 13.421 -1.812 420 H ASP 55 H ASP 55 14.746 10.823 -0.697 421 HA ASP 55 HA ASP 55 16.044 10.563 1.779 422 HB2 ASP 55 1HB ASP 55 13.336 10.027 0.719 423 HB3 ASP 55 2HB ASP 55 13.779 9.127 2.167 424 H GLN 56 H GLN 56 15.121 8.170 -0.646 425 HA GLN 56 HA GLN 56 15.800 5.893 0.901 426 HB2 GLN 56 1HB GLN 56 15.243 6.417 -1.984 427 HB3 GLN 56 2HB GLN 56 16.005 4.895 -1.542 428 HG2 GLN 56 1HG GLN 56 13.384 5.921 -0.475 429 HG3 GLN 56 2HG GLN 56 13.583 4.686 -1.716 430 HE21 GLN 56 2HE2 GLN 56 15.515 3.101 -0.776 431 HE22 GLN 56 1HE2 GLN 56 15.053 2.378 0.723 432 H ARG 57 H ARG 57 17.599 7.969 -1.286 433 HA ARG 57 HA ARG 57 19.864 6.382 -1.667 434 HB2 ARG 57 1HB ARG 57 19.383 9.342 -1.699 435 HB3 ARG 57 2HB ARG 57 21.016 8.713 -1.870 436 HG2 ARG 57 1HG ARG 57 20.489 7.605 -3.881 437 HG3 ARG 57 2HG ARG 57 18.756 7.820 -3.631 438 HD2 ARG 57 1HD ARG 57 19.125 10.289 -3.794 439 HD3 ARG 57 2HD ARG 57 20.794 9.950 -4.252 440 HE ARG 57 HE ARG 57 19.080 8.512 -5.944 441 HH11 ARG 57 2HH1 ARG 57 20.030 11.791 -5.260 442 HH12 ARG 57 1HH1 ARG 57 19.725 12.353 -6.870 443 HH21 ARG 57 2HH2 ARG 57 18.674 9.240 -8.067 444 HH22 ARG 57 1HH2 ARG 57 18.953 10.902 -8.466 445 H ILE 58 H ILE 58 19.128 8.745 0.874 446 HA ILE 58 HA ILE 58 21.602 8.566 2.211 447 HB ILE 58 HB ILE 58 18.935 9.222 3.463 448 HG12 ILE 58 1HG1 ILE 58 19.264 10.607 1.485 449 HG13 ILE 58 2HG1 ILE 58 19.481 11.577 2.937 450 HG21 ILE 58 1HG2 ILE 58 21.770 9.486 4.299 451 HG22 ILE 58 2HG2 ILE 58 20.654 10.773 4.753 452 HG23 ILE 58 3HG2 ILE 58 20.337 9.112 5.255 453 HD11 ILE 58 3HD1 ILE 58 21.884 11.461 2.685 454 HD12 ILE 58 1HD1 ILE 58 21.705 10.419 1.274 455 HD13 ILE 58 2HD1 ILE 58 21.138 12.088 1.215 456 H SER 59 H SER 59 18.577 6.778 2.564 457 HA SER 59 HA SER 59 19.148 5.386 4.906 458 HB2 SER 59 1HB SER 59 16.933 5.386 3.816 459 HB3 SER 59 2HB SER 59 17.583 4.396 2.509 460 HG SER 59 HG SER 59 17.523 3.649 5.248 461 H GLN 60 H GLN 60 19.952 4.602 1.548 462 HA GLN 60 HA GLN 60 21.164 2.098 2.158 463 HB2 GLN 60 1HB GLN 60 20.252 2.827 -0.092 464 HB3 GLN 60 2HB GLN 60 21.701 3.808 -0.270 465 HG2 GLN 60 1HG GLN 60 21.948 1.712 -1.442 466 HG3 GLN 60 2HG GLN 60 23.081 1.799 -0.095 467 HE21 GLN 60 2HE2 GLN 60 22.883 0.391 1.598 468 HE22 GLN 60 1HE2 GLN 60 21.800 -0.955 1.591 469 H ALA 61 H ALA 61 22.362 5.389 1.772 470 HA ALA 61 HA ALA 61 25.105 4.855 1.745 471 HB1 ALA 61 1HB ALA 61 23.748 7.077 1.413 472 HB2 ALA 61 2HB ALA 61 24.091 7.288 3.130 473 HB3 ALA 61 3HB ALA 61 25.417 7.113 1.982 474 H LYS 62 H LYS 62 22.925 5.480 4.478 475 HA LYS 62 HA LYS 62 24.959 5.252 6.458 476 HB2 LYS 62 1HB LYS 62 23.115 5.232 8.064 477 HB3 LYS 62 2HB LYS 62 22.888 6.498 6.864 478 HG2 LYS 62 1HG LYS 62 21.249 5.176 5.704 479 HG3 LYS 62 2HG LYS 62 21.546 3.805 6.775 480 HD2 LYS 62 1HD LYS 62 19.550 4.880 7.519 481 HD3 LYS 62 2HD LYS 62 20.821 5.254 8.686 482 HE2 LYS 62 1HE LYS 62 21.031 7.454 7.923 483 HE3 LYS 62 2HE LYS 62 20.208 7.102 6.404 484 HZ1 LYS 62 3HZ LYS 62 18.289 7.667 7.321 485 HZ2 LYS 62 1HZ LYS 62 19.098 8.111 8.739 486 HZ3 LYS 62 2HZ LYS 62 18.489 6.542 8.568 487 H LEU 63 H LEU 63 22.745 3.007 4.932 488 HA LEU 63 HA LEU 63 23.097 0.867 6.756 489 HB2 LEU 63 1HB LEU 63 21.331 1.266 4.865 490 HB3 LEU 63 2HB LEU 63 22.504 0.410 3.866 491 HG LEU 63 HG LEU 63 20.748 -1.081 4.677 492 HD11 LEU 63 1HD1 LEU 63 23.206 -1.765 4.393 493 HD12 LEU 63 2HD1 LEU 63 22.136 -2.850 5.279 494 HD13 LEU 63 3HD1 LEU 63 23.253 -1.804 6.156 495 HD21 LEU 63 3HD2 LEU 63 21.611 -1.210 7.437 496 HD22 LEU 63 1HD2 LEU 63 19.985 -1.073 6.767 497 HD23 LEU 63 2HD2 LEU 63 20.956 0.376 7.029 498 H LEU 64 H LEU 64 24.566 1.562 3.589 499 HA LEU 64 HA LEU 64 26.319 -0.675 3.656 500 HB2 LEU 64 1HB LEU 64 27.254 0.171 1.680 501 HB3 LEU 64 2HB LEU 64 25.548 0.610 1.620 502 HG LEU 64 HG LEU 64 26.502 2.872 2.652 503 HD11 LEU 64 1HD1 LEU 64 28.851 1.434 1.880 504 HD12 LEU 64 2HD1 LEU 64 28.712 3.024 2.631 505 HD13 LEU 64 3HD1 LEU 64 28.678 2.873 0.874 506 HD21 LEU 64 3HD2 LEU 64 26.711 3.676 0.257 507 HD22 LEU 64 1HD2 LEU 64 25.193 2.892 0.692 508 HD23 LEU 64 2HD2 LEU 64 26.410 2.006 -0.226 509 H LEU 65 H LEU 65 26.620 2.706 4.597 510 HA LEU 65 HA LEU 65 29.369 2.848 4.987 511 HB2 LEU 65 1HB LEU 65 27.009 4.263 6.092 512 HB3 LEU 65 2HB LEU 65 28.542 4.461 6.939 513 HG LEU 65 HG LEU 65 28.205 5.034 4.001 514 HD11 LEU 65 1HD1 LEU 65 27.841 7.309 4.485 515 HD12 LEU 65 2HD1 LEU 65 28.190 7.084 6.198 516 HD13 LEU 65 3HD1 LEU 65 26.710 6.420 5.506 517 HD21 LEU 65 3HD2 LEU 65 30.226 6.497 4.564 518 HD22 LEU 65 1HD2 LEU 65 30.476 4.753 4.484 519 HD23 LEU 65 2HD2 LEU 65 30.336 5.553 6.050 520 H SER 66 H SER 66 26.896 1.335 6.913 521 HA SER 66 HA SER 66 28.458 1.065 9.288 522 HB2 SER 66 1HB SER 66 25.865 -0.061 8.305 523 HB3 SER 66 2HB SER 66 26.647 -0.808 9.698 524 HG SER 66 HG SER 66 25.279 0.798 10.432 525 H THR 67 H THR 67 27.994 -0.836 6.393 526 HA THR 67 HA THR 67 29.640 -2.998 7.499 527 HB THR 67 HB THR 67 27.569 -3.738 6.460 528 HG1 THR 67 HG1 THR 67 29.092 -5.253 6.117 529 HG21 THR 67 3HG2 THR 67 27.544 -3.478 3.854 530 HG22 THR 67 1HG2 THR 67 28.549 -2.067 4.183 531 HG23 THR 67 2HG2 THR 67 26.932 -2.180 4.878 532 H THR 68 H THR 68 30.243 -0.187 6.110 533 HA THR 68 HA THR 68 32.562 -1.229 4.633 534 HB THR 68 HB THR 68 32.347 0.505 2.942 535 HG1 THR 68 HG1 THR 68 31.253 2.202 3.607 536 HG21 THR 68 3HG2 THR 68 29.609 -0.423 2.717 537 HG22 THR 68 1HG2 THR 68 30.705 -1.723 3.183 538 HG23 THR 68 2HG2 THR 68 31.009 -0.797 1.713 539 H ARG 69 H ARG 69 34.333 0.330 4.433 540 HA ARG 69 HA ARG 69 34.332 2.300 6.625 541 HB2 ARG 69 1HB ARG 69 36.684 1.794 7.018 542 HB3 ARG 69 2HB ARG 69 35.707 0.340 7.182 543 HG2 ARG 69 1HG ARG 69 36.931 0.897 4.538 544 HG3 ARG 69 2HG ARG 69 37.983 0.355 5.847 545 HD2 ARG 69 1HD ARG 69 35.449 -1.126 5.412 546 HD3 ARG 69 2HD ARG 69 36.734 -1.342 4.224 547 HE ARG 69 HE ARG 69 36.643 -2.438 6.835 548 HH11 ARG 69 2HH1 ARG 69 38.834 -1.081 4.495 549 HH12 ARG 69 1HH1 ARG 69 40.210 -1.955 5.083 550 HH21 ARG 69 2HH2 ARG 69 38.447 -3.594 7.619 551 HH22 ARG 69 1HH2 ARG 69 39.988 -3.385 6.859 552 H MET 70 H MET 70 33.906 2.393 3.592 553 HA MET 70 HA MET 70 36.122 3.808 2.505 554 HB2 MET 70 1HB MET 70 33.249 3.507 1.647 555 HB3 MET 70 2HB MET 70 34.397 4.487 0.745 556 HG2 MET 70 1HG MET 70 35.776 2.575 0.311 557 HG3 MET 70 2HG MET 70 34.779 1.568 1.358 558 HE1 MET 70 3HE MET 70 32.255 1.046 0.888 559 HE2 MET 70 1HE MET 70 31.800 2.698 0.466 560 HE3 MET 70 2HE MET 70 31.426 1.371 -0.635 561 HA PRO 71 HA PRO 71 35.494 7.901 3.957 562 HB2 PRO 71 1HB PRO 71 36.228 9.368 1.794 563 HB3 PRO 71 2HB PRO 71 37.388 8.485 2.794 564 HG2 PRO 71 1HG PRO 71 36.174 7.709 0.170 565 HG3 PRO 71 2HG PRO 71 37.854 7.553 0.715 566 HD2 PRO 71 1HD PRO 71 36.122 5.471 0.717 567 HD3 PRO 71 2HD PRO 71 37.417 5.637 1.920 568 H ILE 72 H ILE 72 34.282 9.896 3.622 569 HA ILE 72 HA ILE 72 31.626 9.457 2.868 570 HB ILE 72 HB ILE 72 33.030 12.121 3.102 571 HG12 ILE 72 1HG1 ILE 72 31.465 10.639 5.219 572 HG13 ILE 72 2HG1 ILE 72 33.220 10.590 5.101 573 HG21 ILE 72 1HG2 ILE 72 30.841 12.198 1.969 574 HG22 ILE 72 2HG2 ILE 72 30.107 11.438 3.381 575 HG23 ILE 72 3HG2 ILE 72 30.832 13.039 3.519 576 HD11 ILE 72 3HD1 ILE 72 33.466 12.676 5.919 577 HD12 ILE 72 1HD1 ILE 72 31.979 13.265 5.178 578 HD13 ILE 72 2HD1 ILE 72 31.908 12.306 6.657 579 H ALA 73 H ALA 73 34.365 10.645 1.057 580 HA ALA 73 HA ALA 73 32.956 11.778 -1.113 581 HB1 ALA 73 1HB ALA 73 35.172 12.431 -1.008 582 HB2 ALA 73 2HB ALA 73 35.751 10.788 -0.730 583 HB3 ALA 73 3HB ALA 73 35.187 11.265 -2.331 584 H THR 74 H THR 74 34.360 8.548 -0.629 585 HA THR 74 HA THR 74 33.599 7.527 -3.155 586 HB THR 74 HB THR 74 34.148 6.011 -0.596 587 HG1 THR 74 HG1 THR 74 35.939 6.378 -2.759 588 HG21 THR 74 3HG2 THR 74 33.011 4.571 -2.134 589 HG22 THR 74 1HG2 THR 74 34.725 4.159 -2.185 590 HG23 THR 74 2HG2 THR 74 34.011 5.125 -3.476 591 H VAL 75 H VAL 75 32.146 7.162 0.076 592 HA VAL 75 HA VAL 75 29.989 5.557 -0.636 593 HB VAL 75 HB VAL 75 30.054 7.689 1.504 594 HG11 VAL 75 1HG1 VAL 75 27.783 6.941 0.954 595 HG12 VAL 75 2HG1 VAL 75 28.274 5.268 1.231 596 HG13 VAL 75 3HG1 VAL 75 28.272 6.421 2.567 597 HG21 VAL 75 3HG2 VAL 75 31.528 5.291 1.254 598 HG22 VAL 75 1HG2 VAL 75 31.434 6.374 2.643 599 HG23 VAL 75 2HG2 VAL 75 30.307 5.026 2.499 600 H GLY 76 H GLY 76 30.319 9.079 -0.710 601 HA2 GLY 76 1HA GLY 76 27.678 9.772 -1.256 602 HA3 GLY 76 2HA GLY 76 29.082 10.691 -1.777 603 H ARG 77 H ARG 77 30.152 8.513 -3.401 604 HA ARG 77 HA ARG 77 28.784 9.114 -5.822 605 HB2 ARG 77 1HB ARG 77 31.305 8.349 -5.260 606 HB3 ARG 77 2HB ARG 77 30.633 6.800 -5.753 607 HG2 ARG 77 1HG ARG 77 29.742 8.272 -7.777 608 HG3 ARG 77 2HG ARG 77 31.153 9.239 -7.344 609 HD2 ARG 77 1HD ARG 77 32.481 7.084 -7.420 610 HD3 ARG 77 2HD ARG 77 31.063 6.346 -8.163 611 HE ARG 77 HE ARG 77 31.584 8.576 -9.670 612 HH11 ARG 77 2HH1 ARG 77 33.346 5.721 -8.743 613 HH12 ARG 77 1HH1 ARG 77 34.304 5.685 -10.186 614 HH21 ARG 77 2HH2 ARG 77 32.838 8.540 -11.574 615 HH22 ARG 77 1HH2 ARG 77 34.015 7.290 -11.795 616 H ASN 78 H ASN 78 28.747 6.424 -3.584 617 HA ASN 78 HA ASN 78 27.498 4.504 -5.194 618 HB2 ASN 78 1HB ASN 78 27.427 4.947 -2.206 619 HB3 ASN 78 2HB ASN 78 26.701 3.547 -2.990 620 HD21 ASN 78 2HD2 ASN 78 29.002 3.921 -1.098 621 HD22 ASN 78 1HD2 ASN 78 30.311 3.073 -1.840 622 H VAL 79 H VAL 79 26.221 7.246 -3.446 623 HA VAL 79 HA VAL 79 23.467 6.433 -3.963 624 HB VAL 79 HB VAL 79 22.893 8.555 -2.748 625 HG11 VAL 79 1HG1 VAL 79 24.686 6.674 -1.218 626 HG12 VAL 79 2HG1 VAL 79 23.383 7.667 -0.563 627 HG13 VAL 79 3HG1 VAL 79 23.012 6.333 -1.655 628 HG21 VAL 79 3HG2 VAL 79 24.969 9.769 -3.221 629 HG22 VAL 79 1HG2 VAL 79 24.649 9.681 -1.489 630 HG23 VAL 79 2HG2 VAL 79 25.863 8.628 -2.216 631 H GLY 80 H GLY 80 25.813 7.832 -5.733 632 HA2 GLY 80 1HA GLY 80 25.505 8.727 -7.886 633 HA3 GLY 80 2HA GLY 80 23.860 9.160 -7.447 634 H PHE 81 H PHE 81 25.752 10.122 -4.940 635 HA PHE 81 HA PHE 81 25.697 12.885 -5.863 636 HB2 PHE 81 1HB PHE 81 26.188 11.651 -3.149 637 HB3 PHE 81 2HB PHE 81 26.302 13.380 -3.462 638 HD1 PHE 81 HD1 PHE 81 23.992 13.611 -5.383 639 HD2 PHE 81 HD2 PHE 81 24.386 11.611 -1.646 640 HE1 PHE 81 HE1 PHE 81 21.570 13.838 -5.010 641 HE2 PHE 81 HE2 PHE 81 21.965 11.834 -1.268 642 HZ PHE 81 HZ PHE 81 20.554 12.947 -2.951 643 H ASP 82 H ASP 82 27.424 13.738 -6.793 644 HA ASP 82 HA ASP 82 30.021 12.499 -6.540 645 HB2 ASP 82 1HB ASP 82 30.741 14.106 -8.216 646 HB3 ASP 82 2HB ASP 82 29.214 13.380 -8.710 647 H ASP 83 H ASP 83 28.373 15.331 -5.335 648 HA ASP 83 HA ASP 83 30.799 16.489 -4.250 649 HB2 ASP 83 1HB ASP 83 27.900 17.291 -4.241 650 HB3 ASP 83 2HB ASP 83 29.067 18.101 -3.199 651 H GLN 84 H GLN 84 31.648 15.855 -2.391 652 HA GLN 84 HA GLN 84 30.427 14.019 -0.648 653 HB2 GLN 84 1HB GLN 84 32.858 14.265 -0.826 654 HB3 GLN 84 2HB GLN 84 32.755 15.880 -0.138 655 HG2 GLN 84 1HG GLN 84 31.655 14.699 1.876 656 HG3 GLN 84 2HG GLN 84 32.359 13.235 1.192 657 HE21 GLN 84 2HE2 GLN 84 33.368 16.590 1.784 658 HE22 GLN 84 1HE2 GLN 84 34.890 16.186 2.495 659 H LEU 85 H LEU 85 30.658 17.531 -0.584 660 HA LEU 85 HA LEU 85 29.634 17.875 2.037 661 HB2 LEU 85 1HB LEU 85 29.828 19.686 -0.352 662 HB3 LEU 85 2HB LEU 85 29.113 20.215 1.170 663 HG LEU 85 HG LEU 85 31.932 19.177 0.958 664 HD11 LEU 85 1HD1 LEU 85 32.051 21.053 -0.399 665 HD12 LEU 85 2HD1 LEU 85 32.456 21.691 1.194 666 HD13 LEU 85 3HD1 LEU 85 30.838 21.930 0.534 667 HD21 LEU 85 3HD2 LEU 85 31.416 19.098 3.186 668 HD22 LEU 85 1HD2 LEU 85 30.248 20.415 3.077 669 HD23 LEU 85 2HD2 LEU 85 31.976 20.766 3.057 670 H TYR 86 H TYR 86 28.152 17.529 -1.116 671 HA TYR 86 HA TYR 86 25.576 18.439 -0.514 672 HB2 TYR 86 1HB TYR 86 26.455 17.902 -2.801 673 HB3 TYR 86 2HB TYR 86 26.278 16.194 -2.413 674 HD1 TYR 86 HD2 TYR 86 23.919 15.386 -1.753 675 HD2 TYR 86 HD1 TYR 86 24.666 19.086 -3.716 676 HE1 TYR 86 HE2 TYR 86 21.578 15.453 -2.506 677 HE2 TYR 86 HE1 TYR 86 22.328 19.164 -4.473 678 HH TYR 86 HH TYR 86 20.337 18.185 -4.406 679 H PHE 87 H PHE 87 26.959 15.173 -0.305 680 HA PHE 87 HA PHE 87 24.604 13.926 0.639 681 HB2 PHE 87 1HB PHE 87 26.318 12.561 -0.331 682 HB3 PHE 87 2HB PHE 87 27.514 13.140 0.825 683 HD1 PHE 87 HD1 PHE 87 24.231 11.376 0.738 684 HD2 PHE 87 HD2 PHE 87 28.008 11.831 2.648 685 HE1 PHE 87 HE1 PHE 87 23.705 9.484 2.221 686 HE2 PHE 87 HE2 PHE 87 27.488 9.939 4.133 687 HZ PHE 87 HZ PHE 87 25.335 8.763 3.920 688 H SER 88 H SER 88 27.322 15.469 2.256 689 HA SER 88 HA SER 88 26.690 14.643 4.882 690 HB2 SER 88 1HB SER 88 28.215 17.063 3.891 691 HB3 SER 88 2HB SER 88 28.142 16.556 5.579 692 HG SER 88 HG SER 88 29.131 14.604 4.970 693 H ARG 89 H ARG 89 25.684 17.392 2.927 694 HA ARG 89 HA ARG 89 24.419 18.864 4.968 695 HB2 ARG 89 1HB ARG 89 24.167 18.790 1.980 696 HB3 ARG 89 2HB ARG 89 23.047 19.753 2.935 697 HG2 ARG 89 1HG ARG 89 24.871 21.043 3.847 698 HG3 ARG 89 2HG ARG 89 26.044 20.025 3.009 699 HD2 ARG 89 1HD ARG 89 25.701 22.119 1.814 700 HD3 ARG 89 2HD ARG 89 25.135 20.750 0.858 701 HE ARG 89 HE ARG 89 22.949 21.702 2.270 702 HH11 ARG 89 2HH1 ARG 89 25.157 22.860 -0.160 703 HH12 ARG 89 1HH1 ARG 89 24.003 23.931 -0.884 704 HH21 ARG 89 2HH2 ARG 89 21.422 23.109 1.326 705 HH22 ARG 89 1HH2 ARG 89 21.879 24.073 -0.037 706 H VAL 90 H VAL 90 23.092 16.567 2.593 707 HA VAL 90 HA VAL 90 20.450 16.656 3.642 708 HB VAL 90 HB VAL 90 21.745 14.537 1.921 709 HG11 VAL 90 1HG1 VAL 90 19.849 13.395 2.071 710 HG12 VAL 90 2HG1 VAL 90 19.228 14.580 3.222 711 HG13 VAL 90 3HG1 VAL 90 18.945 14.795 1.494 712 HG21 VAL 90 3HG2 VAL 90 21.870 16.546 0.711 713 HG22 VAL 90 1HG2 VAL 90 20.412 15.751 0.116 714 HG23 VAL 90 2HG2 VAL 90 20.284 17.080 1.268 715 H PHE 91 H PHE 91 23.171 14.426 4.052 716 HA PHE 91 HA PHE 91 21.815 12.535 5.642 717 HB2 PHE 91 1HB PHE 91 23.928 11.994 4.566 718 HB3 PHE 91 2HB PHE 91 24.758 13.224 5.514 719 HD1 PHE 91 HD2 PHE 91 25.123 12.894 7.923 720 HD2 PHE 91 HD1 PHE 91 23.424 9.855 5.474 721 HE1 PHE 91 HE2 PHE 91 25.599 11.226 9.668 722 HE2 PHE 91 HE1 PHE 91 23.896 8.182 7.216 723 HZ PHE 91 HZ PHE 91 24.986 8.867 9.316 724 H LYS 92 H LYS 92 23.532 15.501 6.417 725 HA LYS 92 HA LYS 92 23.740 15.206 9.184 726 HB2 LYS 92 1HB LYS 92 24.896 16.989 8.036 727 HB3 LYS 92 2HB LYS 92 23.373 17.695 7.510 728 HG2 LYS 92 1HG LYS 92 22.808 18.135 9.878 729 HG3 LYS 92 2HG LYS 92 24.402 17.532 10.335 730 HD2 LYS 92 1HD LYS 92 25.480 19.290 9.092 731 HD3 LYS 92 2HD LYS 92 23.931 19.835 8.444 732 HE2 LYS 92 1HE LYS 92 24.267 21.336 10.159 733 HE3 LYS 92 2HE LYS 92 23.293 20.103 10.957 734 HZ1 LYS 92 3HZ LYS 92 25.592 19.113 11.557 735 HZ2 LYS 92 1HZ LYS 92 24.993 20.422 12.447 736 HZ3 LYS 92 2HZ LYS 92 26.162 20.676 11.252 737 H LYS 93 H LYS 93 21.129 16.639 7.247 738 HA LYS 93 HA LYS 93 19.486 17.180 9.530 739 HB2 LYS 93 1HB LYS 93 18.050 18.201 8.070 740 HB3 LYS 93 2HB LYS 93 19.515 18.241 7.098 741 HG2 LYS 93 1HG LYS 93 18.619 15.931 6.230 742 HG3 LYS 93 2HG LYS 93 17.072 16.576 6.783 743 HD2 LYS 93 1HD LYS 93 17.351 18.530 5.375 744 HD3 LYS 93 2HD LYS 93 18.952 17.974 4.879 745 HE2 LYS 93 1HE LYS 93 17.693 15.851 4.090 746 HE3 LYS 93 2HE LYS 93 16.259 16.872 4.171 747 HZ1 LYS 93 3HZ LYS 93 16.805 17.802 2.252 748 HZ2 LYS 93 1HZ LYS 93 18.090 16.710 2.105 749 HZ3 LYS 93 2HZ LYS 93 18.343 18.222 2.819 750 H CYS 94 H CYS 94 19.974 14.488 7.416 751 HA CYS 94 HA CYS 94 17.551 13.146 7.625 752 HB2 CYS 94 1HB CYS 94 19.437 12.470 6.152 753 HB3 CYS 94 2HB CYS 94 20.305 11.897 7.571 754 HG CYS 94 HG CYS 94 17.278 10.635 6.601 755 H THR 95 H THR 95 20.403 12.913 9.738 756 HA THR 95 HA THR 95 18.712 11.581 11.748 757 HB THR 95 HB THR 95 20.671 10.604 12.698 758 HG1 THR 95 HG1 THR 95 22.744 11.166 12.010 759 HG21 THR 95 3HG2 THR 95 20.827 10.464 9.686 760 HG22 THR 95 1HG2 THR 95 19.848 9.438 10.734 761 HG23 THR 95 2HG2 THR 95 21.608 9.336 10.794 762 H GLY 96 H GLY 96 20.152 14.508 10.990 763 HA2 GLY 96 1HA GLY 96 19.838 16.455 12.303 764 HA3 GLY 96 2HA GLY 96 19.754 15.443 13.738 765 H ALA 97 H ALA 97 22.272 14.176 12.196 766 HA ALA 97 HA ALA 97 24.228 16.167 13.098 767 HB1 ALA 97 1HB ALA 97 24.833 13.337 13.736 768 HB2 ALA 97 2HB ALA 97 25.281 14.815 14.589 769 HB3 ALA 97 3HB ALA 97 23.650 14.164 14.750 770 H SER 98 H SER 98 26.225 16.092 12.051 771 HA SER 98 HA SER 98 26.181 15.188 9.378 772 HB2 SER 98 1HB SER 98 28.836 15.639 9.862 773 HB3 SER 98 2HB SER 98 27.669 16.893 9.444 774 HG SER 98 HG SER 98 28.736 16.215 11.954 775 HA PRO 99 HA PRO 99 27.769 11.102 9.502 776 HB2 PRO 99 1HB PRO 99 29.511 11.068 7.420 777 HB3 PRO 99 2HB PRO 99 27.758 11.120 7.204 778 HG2 PRO 99 1HG PRO 99 29.749 13.352 7.081 779 HG3 PRO 99 2HG PRO 99 28.370 13.024 6.017 780 HD2 PRO 99 1HD PRO 99 28.279 14.877 7.989 781 HD3 PRO 99 2HD PRO 99 26.853 13.945 7.488 782 H SER 100 H SER 100 30.179 13.672 9.381 783 HA SER 100 HA SER 100 32.407 12.078 10.099 784 HB2 SER 100 1HB SER 100 33.380 14.352 10.797 785 HB3 SER 100 2HB SER 100 32.912 14.161 9.107 786 HG SER 100 HG SER 100 32.047 15.959 10.858 787 H GLU 101 H GLU 101 29.966 13.790 11.945 788 HA GLU 101 HA GLU 101 31.288 13.506 14.466 789 HB2 GLU 101 1HB GLU 101 29.595 15.275 13.949 790 HB3 GLU 101 2HB GLU 101 28.358 14.025 13.939 791 HG2 GLU 101 1HG GLU 101 28.104 14.667 16.076 792 HG3 GLU 101 2HG GLU 101 29.439 13.546 16.338 793 H PHE 102 H PHE 102 28.579 11.840 12.882 794 HA PHE 102 HA PHE 102 27.989 10.040 14.932 795 HB2 PHE 102 1HB PHE 102 26.744 10.532 12.697 796 HB3 PHE 102 2HB PHE 102 27.767 9.257 12.042 797 HD1 PHE 102 HD1 PHE 102 27.498 6.955 12.756 798 HD2 PHE 102 HD2 PHE 102 24.993 10.042 14.274 799 HE1 PHE 102 HE1 PHE 102 25.929 5.260 13.602 800 HE2 PHE 102 HE2 PHE 102 23.419 8.352 15.123 801 HZ PHE 102 HZ PHE 102 23.886 5.958 14.789 802 H ARG 103 H ARG 103 30.379 9.885 12.351 803 HA ARG 103 HA ARG 103 31.142 7.208 12.638 804 HB2 ARG 103 1HB ARG 103 31.840 9.165 10.938 805 HB3 ARG 103 2HB ARG 103 33.249 9.195 11.991 806 HG2 ARG 103 1HG ARG 103 33.688 7.763 10.118 807 HG3 ARG 103 2HG ARG 103 33.563 6.780 11.578 808 HD2 ARG 103 1HD ARG 103 31.785 5.665 10.804 809 HD3 ARG 103 2HD ARG 103 31.013 7.137 10.214 810 HE ARG 103 HE ARG 103 32.539 5.269 8.687 811 HH11 ARG 103 2HH1 ARG 103 31.647 8.624 8.949 812 HH12 ARG 103 1HH1 ARG 103 31.876 8.951 7.263 813 HH21 ARG 103 2HH2 ARG 103 32.843 5.687 6.465 814 HH22 ARG 103 1HH2 ARG 103 32.555 7.280 5.851 815 H ALA 104 H ALA 104 32.257 10.127 14.291 816 HA ALA 104 HA ALA 104 34.285 8.776 15.793 817 HB1 ALA 104 1HB ALA 104 33.149 11.516 15.725 818 HB2 ALA 104 2HB ALA 104 34.000 11.013 17.186 819 HB3 ALA 104 3HB ALA 104 34.827 10.981 15.629 820 H GLY 105 H GLY 105 30.894 9.425 16.222 821 HA2 GLY 105 1HA GLY 105 29.469 8.341 17.721 822 HA3 GLY 105 2HA GLY 105 30.875 7.735 18.584 823 H CYS 106 H CYS 106 31.067 11.053 17.968 824 HA CYS 106 HA CYS 106 30.719 11.640 20.777 825 HB2 CYS 106 1HB CYS 106 32.546 12.592 19.250 826 HB3 CYS 106 2HB CYS 106 31.295 13.646 18.604 827 HG CYS 106 HG CYS 106 33.188 14.202 21.127 828 H GLU 107 H GLU 107 29.044 12.663 21.711 829 HA GLU 107 HA GLU 107 26.907 13.667 19.947 830 HB2 GLU 107 1HB GLU 107 26.484 11.490 21.265 831 HB3 GLU 107 2HB GLU 107 26.401 12.526 22.683 832 HG2 GLU 107 1HG GLU 107 24.487 13.623 21.917 833 HG3 GLU 107 2HG GLU 107 24.711 13.047 20.266 Start of MODEL 8 1 H1 MET 1 H MET 1 1.657 -1.028 0.065 2 HA MET 1 HA MET 1 2.208 0.805 -2.114 3 HB2 MET 1 1HB MET 1 3.805 -0.862 -0.685 4 HB3 MET 1 2HB MET 1 3.497 -1.851 -2.107 5 HG2 MET 1 1HG MET 1 4.915 -0.670 -3.326 6 HG3 MET 1 2HG MET 1 4.142 0.845 -2.867 7 HE1 MET 1 3HE MET 1 6.704 1.304 -3.542 8 HE2 MET 1 1HE MET 1 6.348 2.543 -2.337 9 HE3 MET 1 2HE MET 1 7.857 1.635 -2.248 10 H ASP 2 H ASP 2 1.367 0.666 -4.087 11 HA ASP 2 HA ASP 2 -0.487 -1.440 -4.721 12 HB2 ASP 2 1HB ASP 2 -0.299 1.192 -5.438 13 HB3 ASP 2 2HB ASP 2 0.294 0.388 -6.889 14 H ASN 3 H ASN 3 -0.345 -2.910 -6.438 15 HA ASN 3 HA ASN 3 2.073 -4.211 -6.788 16 HB2 ASN 3 1HB ASN 3 -0.434 -4.209 -8.467 17 HB3 ASN 3 2HB ASN 3 0.936 -5.259 -8.817 18 HD21 ASN 3 2HD2 ASN 3 -1.975 -5.188 -7.403 19 HD22 ASN 3 1HD2 ASN 3 -1.774 -6.428 -6.216 20 H ARG 4 H ARG 4 0.511 -1.820 -8.889 21 HA ARG 4 HA ARG 4 2.525 -1.898 -10.898 22 HB2 ARG 4 1HB ARG 4 0.449 0.208 -10.268 23 HB3 ARG 4 2HB ARG 4 1.454 0.193 -11.711 24 HG2 ARG 4 1HG ARG 4 0.320 -1.553 -12.655 25 HG3 ARG 4 2HG ARG 4 -0.184 -2.210 -11.097 26 HD2 ARG 4 1HD ARG 4 -1.218 0.465 -11.841 27 HD3 ARG 4 2HD ARG 4 -1.852 -0.918 -12.732 28 HE ARG 4 HE ARG 4 -1.899 -1.344 -9.911 29 HH11 ARG 4 2HH1 ARG 4 -3.569 0.204 -12.545 30 HH12 ARG 4 1HH1 ARG 4 -5.109 0.183 -11.752 31 HH21 ARG 4 2HH2 ARG 4 -3.922 -1.377 -8.857 32 HH22 ARG 4 1HH2 ARG 4 -5.309 -0.715 -9.654 33 H VAL 5 H VAL 5 1.921 0.176 -8.100 34 HA VAL 5 HA VAL 5 3.941 2.069 -8.599 35 HB VAL 5 HB VAL 5 2.806 1.183 -5.943 36 HG11 VAL 5 1HG1 VAL 5 4.971 2.917 -6.539 37 HG12 VAL 5 2HG1 VAL 5 3.627 3.901 -5.954 38 HG13 VAL 5 3HG1 VAL 5 4.240 2.569 -4.973 39 HG21 VAL 5 3HG2 VAL 5 1.023 2.501 -6.303 40 HG22 VAL 5 1HG2 VAL 5 1.984 3.750 -7.095 41 HG23 VAL 5 2HG2 VAL 5 1.451 2.336 -8.006 42 H ARG 6 H ARG 6 3.969 -1.019 -6.889 43 HA ARG 6 HA ARG 6 6.500 -0.848 -5.724 44 HB2 ARG 6 1HB ARG 6 4.606 -2.653 -5.521 45 HB3 ARG 6 2HB ARG 6 5.493 -3.447 -6.815 46 HG2 ARG 6 1HG ARG 6 6.779 -4.362 -5.264 47 HG3 ARG 6 2HG ARG 6 7.427 -2.754 -4.933 48 HD2 ARG 6 1HD ARG 6 6.219 -2.514 -3.035 49 HD3 ARG 6 2HD ARG 6 4.834 -3.394 -3.679 50 HE ARG 6 HE ARG 6 6.971 -4.462 -2.112 51 HH11 ARG 6 2HH1 ARG 6 4.638 -5.215 -4.584 52 HH12 ARG 6 1HH1 ARG 6 4.602 -6.908 -4.217 53 HH21 ARG 6 2HH2 ARG 6 6.932 -6.689 -1.619 54 HH22 ARG 6 1HH2 ARG 6 5.906 -7.745 -2.529 55 H GLU 7 H GLU 7 5.521 -1.827 -8.967 56 HA GLU 7 HA GLU 7 8.005 -2.822 -9.832 57 HB2 GLU 7 1HB GLU 7 5.509 -1.891 -11.136 58 HB3 GLU 7 2HB GLU 7 6.953 -1.924 -12.138 59 HG2 GLU 7 1HG GLU 7 6.213 -4.021 -12.533 60 HG3 GLU 7 2HG GLU 7 7.169 -4.347 -11.089 61 H ALA 8 H ALA 8 6.642 0.428 -9.817 62 HA ALA 8 HA ALA 8 8.548 1.716 -11.400 63 HB1 ALA 8 1HB ALA 8 6.668 2.988 -10.935 64 HB2 ALA 8 2HB ALA 8 6.733 2.640 -9.207 65 HB3 ALA 8 3HB ALA 8 7.903 3.745 -9.928 66 H CYS 9 H CYS 9 8.605 0.820 -8.001 67 HA CYS 9 HA CYS 9 10.809 2.331 -7.180 68 HB2 CYS 9 1HB CYS 9 9.450 1.246 -5.532 69 HB3 CYS 9 2HB CYS 9 9.765 -0.338 -6.229 70 HG CYS 9 HG CYS 9 11.086 0.099 -3.706 71 H GLN 10 H GLN 10 10.610 -0.725 -8.886 72 HA GLN 10 HA GLN 10 13.308 -1.500 -8.591 73 HB2 GLN 10 1HB GLN 10 11.297 -2.163 -10.747 74 HB3 GLN 10 2HB GLN 10 12.862 -2.947 -10.577 75 HG2 GLN 10 1HG GLN 10 10.649 -2.978 -8.536 76 HG3 GLN 10 2HG GLN 10 11.066 -4.294 -9.633 77 HE21 GLN 10 2HE2 GLN 10 13.407 -4.987 -9.493 78 HE22 GLN 10 1HE2 GLN 10 14.075 -5.128 -7.906 79 H TYR 11 H TYR 11 11.626 0.372 -11.082 80 HA TYR 11 HA TYR 11 13.895 0.680 -12.763 81 HB2 TYR 11 1HB TYR 11 11.733 0.958 -13.741 82 HB3 TYR 11 2HB TYR 11 11.287 2.188 -12.564 83 HD1 TYR 11 HD1 TYR 11 13.517 1.496 -15.444 84 HD2 TYR 11 HD2 TYR 11 11.759 4.466 -12.956 85 HE1 TYR 11 HE1 TYR 11 14.303 3.244 -16.986 86 HE2 TYR 11 HE2 TYR 11 12.539 6.222 -14.491 87 HH TYR 11 HH TYR 11 14.154 5.422 -17.530 88 H ILE 12 H ILE 12 12.342 2.823 -10.389 89 HA ILE 12 HA ILE 12 14.117 4.982 -10.680 90 HB ILE 12 HB ILE 12 12.526 4.169 -8.244 91 HG12 ILE 12 1HG1 ILE 12 11.891 6.116 -10.473 92 HG13 ILE 12 2HG1 ILE 12 11.142 4.540 -10.244 93 HG21 ILE 12 1HG2 ILE 12 12.905 6.967 -8.401 94 HG22 ILE 12 2HG2 ILE 12 13.501 5.850 -7.175 95 HG23 ILE 12 3HG2 ILE 12 14.484 6.206 -8.595 96 HD11 ILE 12 3HD1 ILE 12 10.844 7.015 -8.589 97 HD12 ILE 12 1HD1 ILE 12 9.599 6.058 -9.391 98 HD13 ILE 12 2HD1 ILE 12 10.416 5.423 -7.962 99 H SER 13 H SER 13 14.170 2.176 -8.525 100 HA SER 13 HA SER 13 16.385 2.955 -6.977 101 HB2 SER 13 1HB SER 13 14.924 1.161 -6.242 102 HB3 SER 13 2HB SER 13 15.350 0.191 -7.652 103 HG SER 13 HG SER 13 16.765 -0.583 -6.273 104 H ASP 14 H ASP 14 16.142 1.110 -9.982 105 HA ASP 14 HA ASP 14 18.882 0.428 -10.159 106 HB2 ASP 14 1HB ASP 14 16.523 0.320 -11.928 107 HB3 ASP 14 2HB ASP 14 18.072 0.442 -12.757 108 H HIS 15 H HIS 15 17.058 3.262 -11.050 109 HA HIS 15 HA HIS 15 19.384 4.408 -12.413 110 HB2 HIS 15 1HB HIS 15 16.475 5.173 -12.300 111 HB3 HIS 15 2HB HIS 15 17.695 6.294 -12.896 112 HD1 HIS 15 HD1 HIS 15 17.295 6.321 -15.350 113 HD2 HIS 15 HD2 HIS 15 17.386 2.459 -13.821 114 HE1 HIS 15 HE1 HIS 15 17.176 4.802 -17.351 115 H LEU 16 H LEU 16 18.885 4.027 -9.409 116 HA LEU 16 HA LEU 16 18.517 6.493 -8.164 117 HB2 LEU 16 1HB LEU 16 18.565 4.280 -7.039 118 HB3 LEU 16 2HB LEU 16 20.316 4.256 -7.245 119 HG LEU 16 HG LEU 16 20.399 6.350 -5.846 120 HD11 LEU 16 1HD1 LEU 16 17.528 5.976 -5.999 121 HD12 LEU 16 2HD1 LEU 16 18.461 7.382 -5.488 122 HD13 LEU 16 3HD1 LEU 16 18.099 6.098 -4.335 123 HD21 LEU 16 3HD2 LEU 16 20.176 5.145 -3.742 124 HD22 LEU 16 1HD2 LEU 16 20.958 4.137 -4.961 125 HD23 LEU 16 2HD2 LEU 16 19.262 3.872 -4.553 126 H ALA 17 H ALA 17 21.235 5.229 -9.888 127 HA ALA 17 HA ALA 17 23.152 7.078 -8.797 128 HB1 ALA 17 1HB ALA 17 23.653 5.733 -11.393 129 HB2 ALA 17 2HB ALA 17 24.721 5.960 -10.007 130 HB3 ALA 17 3HB ALA 17 23.472 4.716 -9.963 131 H ASP 18 H ASP 18 20.795 7.134 -11.293 132 HA ASP 18 HA ASP 18 21.992 9.092 -12.968 133 HB2 ASP 18 1HB ASP 18 19.925 7.462 -13.335 134 HB3 ASP 18 2HB ASP 18 19.024 8.869 -12.775 135 H SER 19 H SER 19 21.430 11.309 -13.190 136 HA SER 19 HA SER 19 20.806 12.563 -10.624 137 HB2 SER 19 1HB SER 19 22.862 13.283 -11.754 138 HB3 SER 19 2HB SER 19 21.927 13.757 -13.172 139 HG SER 19 HG SER 19 21.290 14.830 -10.654 140 H ASN 20 H ASN 20 19.897 12.864 -14.054 141 HA ASN 20 HA ASN 20 17.638 14.542 -13.406 142 HB2 ASN 20 1HB ASN 20 18.628 13.344 -15.997 143 HB3 ASN 20 2HB ASN 20 17.176 14.334 -15.887 144 HD21 ASN 20 2HD2 ASN 20 19.675 14.792 -17.330 145 HD22 ASN 20 1HD2 ASN 20 20.278 16.308 -16.762 146 H PHE 21 H PHE 21 15.922 13.631 -12.479 147 HA PHE 21 HA PHE 21 15.217 10.876 -12.973 148 HB2 PHE 21 1HB PHE 21 14.986 11.872 -10.724 149 HB3 PHE 21 2HB PHE 21 13.777 12.987 -11.353 150 HD1 PHE 21 HD1 PHE 21 14.210 9.356 -12.015 151 HD2 PHE 21 HD2 PHE 21 11.813 12.409 -10.268 152 HE1 PHE 21 HE1 PHE 21 12.449 7.702 -11.548 153 HE2 PHE 21 HE2 PHE 21 10.049 10.759 -9.797 154 HZ PHE 21 HZ PHE 21 10.366 8.402 -10.436 155 H ASP 22 H ASP 22 13.642 10.117 -14.263 156 HA ASP 22 HA ASP 22 12.010 12.097 -15.714 157 HB2 ASP 22 1HB ASP 22 13.830 10.435 -16.840 158 HB3 ASP 22 2HB ASP 22 12.389 9.424 -16.922 159 H ILE 23 H ILE 23 10.195 12.065 -14.445 160 HA ILE 23 HA ILE 23 9.013 9.776 -13.327 161 HB ILE 23 HB ILE 23 8.514 12.127 -12.645 162 HG12 ILE 23 1HG1 ILE 23 5.871 10.950 -13.328 163 HG13 ILE 23 2HG1 ILE 23 6.981 9.939 -12.408 164 HG21 ILE 23 1HG2 ILE 23 6.957 13.458 -13.884 165 HG22 ILE 23 2HG2 ILE 23 8.266 12.990 -14.968 166 HG23 ILE 23 3HG2 ILE 23 6.710 12.165 -15.057 167 HD11 ILE 23 3HD1 ILE 23 6.551 12.717 -11.474 168 HD12 ILE 23 1HD1 ILE 23 5.248 11.552 -11.243 169 HD13 ILE 23 2HD1 ILE 23 6.841 11.240 -10.555 170 H ALA 24 H ALA 24 8.883 11.114 -16.520 171 HA ALA 24 HA ALA 24 6.481 9.909 -17.399 172 HB1 ALA 24 1HB ALA 24 7.588 11.773 -18.570 173 HB2 ALA 24 2HB ALA 24 8.886 10.678 -19.047 174 HB3 ALA 24 3HB ALA 24 7.246 10.411 -19.638 175 H SER 25 H SER 25 9.864 8.861 -17.497 176 HA SER 25 HA SER 25 9.402 6.484 -18.961 177 HB2 SER 25 1HB SER 25 11.648 7.161 -17.046 178 HB3 SER 25 2HB SER 25 11.652 5.818 -18.189 179 HG SER 25 HG SER 25 11.453 7.394 -19.869 180 H VAL 26 H VAL 26 9.167 7.299 -15.581 181 HA VAL 26 HA VAL 26 9.169 4.653 -14.554 182 HB VAL 26 HB VAL 26 7.970 7.168 -13.385 183 HG11 VAL 26 1HG1 VAL 26 8.343 4.406 -12.292 184 HG12 VAL 26 2HG1 VAL 26 8.353 5.808 -11.220 185 HG13 VAL 26 3HG1 VAL 26 6.932 5.459 -12.205 186 HG21 VAL 26 3HG2 VAL 26 10.474 5.968 -12.351 187 HG22 VAL 26 1HG2 VAL 26 10.561 6.806 -13.901 188 HG23 VAL 26 2HG2 VAL 26 9.990 7.660 -12.467 189 H ALA 27 H ALA 27 6.551 6.909 -15.389 190 HA ALA 27 HA ALA 27 4.432 5.180 -14.687 191 HB1 ALA 27 1HB ALA 27 4.659 7.803 -15.534 192 HB2 ALA 27 2HB ALA 27 3.771 7.011 -16.836 193 HB3 ALA 27 3HB ALA 27 3.161 6.941 -15.183 194 H GLN 28 H GLN 28 6.150 5.743 -17.726 195 HA GLN 28 HA GLN 28 4.498 4.190 -19.383 196 HB2 GLN 28 1HB GLN 28 6.127 5.744 -20.300 197 HB3 GLN 28 2HB GLN 28 7.448 4.808 -19.614 198 HG2 GLN 28 1HG GLN 28 7.183 4.422 -22.013 199 HG3 GLN 28 2HG GLN 28 6.942 2.952 -21.071 200 HE21 GLN 28 2HE2 GLN 28 5.760 1.982 -22.713 201 HE22 GLN 28 1HE2 GLN 28 4.144 2.460 -23.092 202 H HIS 29 H HIS 29 7.234 3.345 -17.336 203 HA HIS 29 HA HIS 29 7.696 0.749 -18.246 204 HB2 HIS 29 1HB HIS 29 9.278 1.723 -16.757 205 HB3 HIS 29 2HB HIS 29 8.050 2.007 -15.527 206 HD1 HIS 29 HD1 HIS 29 8.574 -1.277 -17.318 207 HD2 HIS 29 HD2 HIS 29 9.100 0.409 -13.558 208 HE1 HIS 29 HE1 HIS 29 9.191 -3.188 -15.805 209 H VAL 30 H VAL 30 5.280 2.009 -16.035 210 HA VAL 30 HA VAL 30 4.276 -0.690 -15.510 211 HB VAL 30 HB VAL 30 2.802 0.362 -13.858 212 HG11 VAL 30 1HG1 VAL 30 4.749 1.434 -12.459 213 HG12 VAL 30 2HG1 VAL 30 4.739 -0.294 -12.818 214 HG13 VAL 30 3HG1 VAL 30 5.747 0.799 -13.767 215 HG21 VAL 30 3HG2 VAL 30 4.173 2.960 -14.529 216 HG22 VAL 30 1HG2 VAL 30 2.564 2.518 -15.101 217 HG23 VAL 30 2HG2 VAL 30 2.866 2.702 -13.373 218 H CYS 31 H CYS 31 4.008 0.966 -18.071 219 HA CYS 31 HA CYS 31 2.445 1.414 -19.667 220 HB2 CYS 31 1HB CYS 31 2.171 -1.135 -19.052 221 HB3 CYS 31 2HB CYS 31 0.615 -0.601 -18.426 222 HG CYS 31 HG CYS 31 -0.612 -0.433 -20.685 223 H LEU 32 H LEU 32 2.301 3.058 -17.355 224 HA LEU 32 HA LEU 32 -0.530 3.815 -17.493 225 HB2 LEU 32 1HB LEU 32 0.057 2.560 -15.363 226 HB3 LEU 32 2HB LEU 32 1.048 3.954 -14.937 227 HG LEU 32 HG LEU 32 -0.934 5.374 -14.917 228 HD11 LEU 32 1HD1 LEU 32 -2.341 4.426 -16.548 229 HD12 LEU 32 2HD1 LEU 32 -3.178 4.201 -15.012 230 HD13 LEU 32 3HD1 LEU 32 -2.328 2.848 -15.758 231 HD21 LEU 32 3HD2 LEU 32 -2.136 3.507 -13.187 232 HD22 LEU 32 1HD2 LEU 32 -1.028 4.815 -12.773 233 HD23 LEU 32 2HD2 LEU 32 -0.399 3.206 -13.129 234 H SER 33 H SER 33 -0.895 6.078 -16.754 235 HA SER 33 HA SER 33 1.104 7.792 -17.933 236 HB2 SER 33 1HB SER 33 -1.708 8.107 -16.998 237 HB3 SER 33 2HB SER 33 -0.705 9.555 -17.072 238 HG SER 33 HG SER 33 -0.216 8.840 -19.290 239 HA PRO 34 HA PRO 34 3.115 9.267 -14.326 240 HB2 PRO 34 1HB PRO 34 3.433 11.906 -14.876 241 HB3 PRO 34 2HB PRO 34 4.352 10.637 -15.694 242 HG2 PRO 34 1HG PRO 34 1.923 12.116 -16.628 243 HG3 PRO 34 2HG PRO 34 3.387 11.685 -17.531 244 HD2 PRO 34 1HD PRO 34 1.081 10.280 -17.736 245 HD3 PRO 34 2HD PRO 34 2.679 9.522 -17.892 246 H SER 35 H SER 35 0.315 11.169 -15.360 247 HA SER 35 HA SER 35 -0.045 12.550 -12.914 248 HB2 SER 35 1HB SER 35 -2.477 12.749 -13.871 249 HB3 SER 35 2HB SER 35 -1.147 13.566 -14.692 250 HG SER 35 HG SER 35 -2.585 11.288 -15.451 251 H ARG 36 H ARG 36 -1.531 9.616 -14.251 252 HA ARG 36 HA ARG 36 -3.191 9.147 -11.982 253 HB2 ARG 36 1HB ARG 36 -3.353 8.249 -14.450 254 HB3 ARG 36 2HB ARG 36 -2.350 6.947 -13.826 255 HG2 ARG 36 1HG ARG 36 -4.363 6.018 -13.415 256 HG3 ARG 36 2HG ARG 36 -4.232 6.967 -11.934 257 HD2 ARG 36 1HD ARG 36 -6.416 7.292 -12.901 258 HD3 ARG 36 2HD ARG 36 -5.491 8.787 -13.030 259 HE ARG 36 HE ARG 36 -5.600 8.613 -15.307 260 HH11 ARG 36 2HH1 ARG 36 -6.405 5.535 -13.894 261 HH12 ARG 36 1HH1 ARG 36 -6.882 4.822 -15.399 262 HH21 ARG 36 2HH2 ARG 36 -6.225 7.685 -17.295 263 HH22 ARG 36 1HH2 ARG 36 -6.779 6.045 -17.333 264 H LEU 37 H LEU 37 -0.011 8.016 -12.998 265 HA LEU 37 HA LEU 37 0.288 6.074 -10.947 266 HB2 LEU 37 1HB LEU 37 1.642 5.839 -12.864 267 HB3 LEU 37 2HB LEU 37 2.227 7.497 -12.746 268 HG LEU 37 HG LEU 37 2.987 6.124 -10.375 269 HD11 LEU 37 1HD1 LEU 37 3.510 4.627 -12.928 270 HD12 LEU 37 2HD1 LEU 37 2.812 4.021 -11.427 271 HD13 LEU 37 3HD1 LEU 37 4.521 4.452 -11.493 272 HD21 LEU 37 3HD2 LEU 37 4.299 7.460 -12.690 273 HD22 LEU 37 1HD2 LEU 37 5.290 6.503 -11.589 274 HD23 LEU 37 2HD2 LEU 37 4.350 7.863 -10.973 275 H SER 38 H SER 38 1.368 9.436 -11.288 276 HA SER 38 HA SER 38 2.816 9.602 -8.895 277 HB2 SER 38 1HB SER 38 2.581 12.033 -9.125 278 HB3 SER 38 2HB SER 38 2.953 11.295 -10.683 279 HG SER 38 HG SER 38 0.909 12.844 -10.084 280 H HIS 39 H HIS 39 -0.601 10.179 -9.590 281 HA HIS 39 HA HIS 39 -1.355 11.208 -7.100 282 HB2 HIS 39 1HB HIS 39 -2.806 11.274 -9.086 283 HB3 HIS 39 2HB HIS 39 -2.993 9.525 -9.009 284 HD1 HIS 39 HD1 HIS 39 -4.427 12.640 -7.768 285 HD2 HIS 39 HD2 HIS 39 -4.437 8.643 -6.634 286 HE1 HIS 39 HE1 HIS 39 -6.342 12.403 -6.154 287 H LEU 40 H LEU 40 -1.358 7.854 -8.278 288 HA LEU 40 HA LEU 40 -2.279 6.757 -5.816 289 HB2 LEU 40 1HB LEU 40 -0.838 5.433 -8.109 290 HB3 LEU 40 2HB LEU 40 -1.660 4.595 -6.795 291 HG LEU 40 HG LEU 40 -2.945 6.295 -8.931 292 HD11 LEU 40 1HD1 LEU 40 -3.798 3.531 -8.587 293 HD12 LEU 40 2HD1 LEU 40 -2.108 3.687 -9.065 294 HD13 LEU 40 3HD1 LEU 40 -3.375 4.416 -10.053 295 HD21 LEU 40 3HD2 LEU 40 -4.392 6.681 -7.215 296 HD22 LEU 40 1HD2 LEU 40 -3.949 5.204 -6.359 297 HD23 LEU 40 2HD2 LEU 40 -5.016 5.124 -7.761 298 H PHE 41 H PHE 41 0.861 7.479 -7.163 299 HA PHE 41 HA PHE 41 2.465 5.914 -5.489 300 HB2 PHE 41 1HB PHE 41 2.938 7.652 -7.542 301 HB3 PHE 41 2HB PHE 41 3.548 8.567 -6.168 302 HD1 PHE 41 HD2 PHE 41 5.450 7.771 -4.886 303 HD2 PHE 41 HD1 PHE 41 4.010 5.626 -8.269 304 HE1 PHE 41 HE2 PHE 41 7.540 6.474 -4.949 305 HE2 PHE 41 HE1 PHE 41 6.097 4.325 -8.337 306 HZ PHE 41 HZ PHE 41 7.866 4.749 -6.677 307 H ARG 42 H ARG 42 1.390 9.285 -5.109 308 HA ARG 42 HA ARG 42 2.613 9.649 -2.576 309 HB2 ARG 42 1HB ARG 42 1.317 11.271 -4.425 310 HB3 ARG 42 2HB ARG 42 0.262 11.305 -3.019 311 HG2 ARG 42 1HG ARG 42 2.605 11.705 -1.799 312 HG3 ARG 42 2HG ARG 42 2.981 12.394 -3.380 313 HD2 ARG 42 1HD ARG 42 0.790 13.684 -3.142 314 HD3 ARG 42 2HD ARG 42 0.830 13.204 -1.446 315 HE ARG 42 HE ARG 42 3.295 14.321 -1.990 316 HH11 ARG 42 2HH1 ARG 42 -0.035 15.335 -2.052 317 HH12 ARG 42 1HH1 ARG 42 0.327 16.991 -1.695 318 HH21 ARG 42 2HH2 ARG 42 3.784 16.499 -1.520 319 HH22 ARG 42 1HH2 ARG 42 2.500 17.652 -1.393 320 H GLN 43 H GLN 43 -0.394 8.269 -3.607 321 HA GLN 43 HA GLN 43 -1.679 8.441 -1.043 322 HB2 GLN 43 1HB GLN 43 -2.824 8.296 -3.327 323 HB3 GLN 43 2HB GLN 43 -2.443 6.580 -3.285 324 HG2 GLN 43 1HG GLN 43 -3.879 7.821 -0.988 325 HG3 GLN 43 2HG GLN 43 -4.758 7.442 -2.468 326 HE21 GLN 43 2HE2 GLN 43 -4.192 5.156 -3.312 327 HE22 GLN 43 1HE2 GLN 43 -4.248 3.903 -2.125 328 H GLN 44 H GLN 44 0.083 5.976 -2.854 329 HA GLN 44 HA GLN 44 -0.327 3.966 -0.827 330 HB2 GLN 44 1HB GLN 44 1.453 4.006 -3.268 331 HB3 GLN 44 2HB GLN 44 1.225 2.611 -2.222 332 HG2 GLN 44 1HG GLN 44 -1.181 3.889 -3.399 333 HG3 GLN 44 2HG GLN 44 -0.146 2.922 -4.448 334 HE21 GLN 44 2HE2 GLN 44 -2.218 1.688 -4.546 335 HE22 GLN 44 1HE2 GLN 44 -2.456 0.444 -3.372 336 H LEU 45 H LEU 45 2.282 6.104 -1.862 337 HA LEU 45 HA LEU 45 4.072 5.058 0.174 338 HB2 LEU 45 1HB LEU 45 4.427 6.267 -2.305 339 HB3 LEU 45 2HB LEU 45 4.957 7.480 -1.141 340 HG LEU 45 HG LEU 45 6.004 4.686 -0.952 341 HD11 LEU 45 1HD1 LEU 45 6.271 5.375 -3.305 342 HD12 LEU 45 2HD1 LEU 45 7.810 5.219 -2.459 343 HD13 LEU 45 3HD1 LEU 45 7.129 6.817 -2.762 344 HD21 LEU 45 3HD2 LEU 45 6.353 6.639 0.727 345 HD22 LEU 45 1HD2 LEU 45 7.499 7.230 -0.477 346 HD23 LEU 45 2HD2 LEU 45 7.728 5.641 0.253 347 H GLY 46 H GLY 46 1.729 7.505 -0.138 348 HA2 GLY 46 1HA GLY 46 0.984 9.086 1.354 349 HA3 GLY 46 2HA GLY 46 2.049 8.358 2.547 350 H ILE 47 H ILE 47 3.755 9.220 -0.214 351 HA ILE 47 HA ILE 47 4.264 11.960 0.615 352 HB ILE 47 HB ILE 47 6.647 11.689 0.872 353 HG12 ILE 47 1HG1 ILE 47 6.146 8.741 0.402 354 HG13 ILE 47 2HG1 ILE 47 6.984 9.835 -0.693 355 HG21 ILE 47 1HG2 ILE 47 5.152 9.685 2.558 356 HG22 ILE 47 2HG2 ILE 47 6.711 10.405 2.952 357 HG23 ILE 47 3HG2 ILE 47 5.270 11.417 2.865 358 HD11 ILE 47 3HD1 ILE 47 7.885 8.823 1.980 359 HD12 ILE 47 1HD1 ILE 47 8.660 8.627 0.408 360 HD13 ILE 47 2HD1 ILE 47 8.638 10.208 1.190 361 H SER 48 H SER 48 5.985 12.959 -0.864 362 HA SER 48 HA SER 48 5.180 12.457 -3.572 363 HB2 SER 48 1HB SER 48 6.975 14.453 -2.229 364 HB3 SER 48 2HB SER 48 7.004 14.286 -3.984 365 HG SER 48 HG SER 48 5.231 15.391 -4.041 366 H VAL 49 H VAL 49 6.472 11.795 -5.299 367 HA VAL 49 HA VAL 49 8.190 9.666 -4.874 368 HB VAL 49 HB VAL 49 8.948 10.021 -7.238 369 HG11 VAL 49 1HG1 VAL 49 6.505 9.888 -8.150 370 HG12 VAL 49 2HG1 VAL 49 7.131 8.611 -7.106 371 HG13 VAL 49 3HG1 VAL 49 6.076 9.858 -6.439 372 HG21 VAL 49 3HG2 VAL 49 7.202 12.461 -6.972 373 HG22 VAL 49 1HG2 VAL 49 8.905 12.392 -7.426 374 HG23 VAL 49 2HG2 VAL 49 7.675 11.767 -8.523 375 H LEU 50 H LEU 50 8.953 13.083 -5.376 376 HA LEU 50 HA LEU 50 11.745 12.820 -5.541 377 HB2 LEU 50 1HB LEU 50 10.195 15.153 -4.431 378 HB3 LEU 50 2HB LEU 50 11.840 15.185 -5.062 379 HG LEU 50 HG LEU 50 9.311 14.738 -6.644 380 HD11 LEU 50 1HD1 LEU 50 11.310 16.982 -6.812 381 HD12 LEU 50 2HD1 LEU 50 9.817 17.067 -5.879 382 HD13 LEU 50 3HD1 LEU 50 9.752 16.858 -7.629 383 HD21 LEU 50 3HD2 LEU 50 10.663 13.556 -7.991 384 HD22 LEU 50 1HD2 LEU 50 12.130 14.185 -7.240 385 HD23 LEU 50 2HD2 LEU 50 11.288 15.138 -8.462 386 H SER 51 H SER 51 9.567 13.084 -2.798 387 HA SER 51 HA SER 51 11.620 13.450 -0.848 388 HB2 SER 51 1HB SER 51 9.190 14.095 -0.567 389 HB3 SER 51 2HB SER 51 8.834 12.380 -0.364 390 HG SER 51 HG SER 51 10.282 14.111 1.309 391 H TRP 52 H TRP 52 9.746 10.664 -1.981 392 HA TRP 52 HA TRP 52 10.732 8.766 -0.183 393 HB2 TRP 52 1HB TRP 52 8.823 8.247 -1.551 394 HB3 TRP 52 2HB TRP 52 9.758 8.463 -3.028 395 HD1 TRP 52 HD1 TRP 52 9.682 6.085 0.037 396 HE1 TRP 52 HE1 TRP 52 10.454 3.759 -0.748 397 HE3 TRP 52 HE3 TRP 52 10.833 7.207 -4.816 398 HZ2 TRP 52 HZ2 TRP 52 11.423 2.558 -3.111 399 HZ3 TRP 52 HZ3 TRP 52 11.678 5.413 -6.272 400 HH2 TRP 52 HH2 TRP 52 11.966 3.137 -5.436 401 H ARG 53 H ARG 53 11.963 9.790 -3.345 402 HA ARG 53 HA ARG 53 14.051 7.929 -3.547 403 HB2 ARG 53 1HB ARG 53 13.258 9.320 -5.425 404 HB3 ARG 53 2HB ARG 53 13.939 10.743 -4.647 405 HG2 ARG 53 1HG ARG 53 15.715 10.333 -5.937 406 HG3 ARG 53 2HG ARG 53 16.099 9.098 -4.736 407 HD2 ARG 53 1HD ARG 53 15.117 7.387 -6.056 408 HD3 ARG 53 2HD ARG 53 14.385 8.561 -7.149 409 HE ARG 53 HE ARG 53 17.098 7.591 -7.200 410 HH11 ARG 53 2HH1 ARG 53 14.927 10.138 -8.158 411 HH12 ARG 53 1HH1 ARG 53 15.917 10.663 -9.480 412 HH21 ARG 53 2HH2 ARG 53 18.411 8.273 -8.937 413 HH22 ARG 53 1HH2 ARG 53 17.898 9.601 -9.922 414 H GLU 54 H GLU 54 13.993 11.212 -2.196 415 HA GLU 54 HA GLU 54 16.735 11.299 -1.518 416 HB2 GLU 54 1HB GLU 54 14.956 13.206 -1.660 417 HB3 GLU 54 2HB GLU 54 14.650 12.804 0.024 418 HG2 GLU 54 1HG GLU 54 16.828 13.401 0.673 419 HG3 GLU 54 2HG GLU 54 17.401 13.433 -0.993 420 H ASP 55 H ASP 55 13.845 10.390 0.314 421 HA ASP 55 HA ASP 55 15.053 10.015 2.807 422 HB2 ASP 55 1HB ASP 55 12.516 9.882 1.947 423 HB3 ASP 55 2HB ASP 55 12.869 8.158 2.026 424 H GLN 56 H GLN 56 14.553 7.731 0.138 425 HA GLN 56 HA GLN 56 15.729 5.519 1.481 426 HB2 GLN 56 1HB GLN 56 15.021 6.096 -1.380 427 HB3 GLN 56 2HB GLN 56 15.909 4.640 -0.952 428 HG2 GLN 56 1HG GLN 56 13.211 5.422 0.129 429 HG3 GLN 56 2HG GLN 56 13.507 4.239 -1.143 430 HE21 GLN 56 2HE2 GLN 56 14.638 2.306 -0.597 431 HE22 GLN 56 1HE2 GLN 56 14.602 1.700 1.021 432 H ARG 57 H ARG 57 16.959 8.045 -0.622 433 HA ARG 57 HA ARG 57 19.446 6.959 -1.262 434 HB2 ARG 57 1HB ARG 57 18.357 9.729 -1.053 435 HB3 ARG 57 2HB ARG 57 20.097 9.529 -1.206 436 HG2 ARG 57 1HG ARG 57 19.877 8.445 -3.304 437 HG3 ARG 57 2HG ARG 57 18.129 8.296 -3.113 438 HD2 ARG 57 1HD ARG 57 17.766 10.555 -3.505 439 HD3 ARG 57 2HD ARG 57 19.425 10.991 -3.098 440 HE ARG 57 HE ARG 57 19.392 9.338 -5.386 441 HH11 ARG 57 2HH1 ARG 57 18.626 12.573 -4.351 442 HH12 ARG 57 1HH1 ARG 57 18.902 13.277 -5.909 443 HH21 ARG 57 2HH2 ARG 57 19.758 10.254 -7.443 444 HH22 ARG 57 1HH2 ARG 57 19.545 11.957 -7.668 445 H ILE 58 H ILE 58 18.437 8.848 1.557 446 HA ILE 58 HA ILE 58 21.037 8.947 2.726 447 HB ILE 58 HB ILE 58 18.336 9.348 4.017 448 HG12 ILE 58 1HG1 ILE 58 18.818 10.918 2.168 449 HG13 ILE 58 2HG1 ILE 58 18.767 11.730 3.729 450 HG21 ILE 58 1HG2 ILE 58 20.284 10.819 5.370 451 HG22 ILE 58 2HG2 ILE 58 19.445 9.378 5.942 452 HG23 ILE 58 3HG2 ILE 58 20.995 9.225 5.116 453 HD11 ILE 58 3HD1 ILE 58 20.772 11.884 1.819 454 HD12 ILE 58 1HD1 ILE 58 20.832 12.482 3.477 455 HD13 ILE 58 2HD1 ILE 58 21.441 10.871 3.097 456 H SER 59 H SER 59 18.157 6.951 3.291 457 HA SER 59 HA SER 59 19.150 5.471 5.451 458 HB2 SER 59 1HB SER 59 16.755 5.551 4.585 459 HB3 SER 59 2HB SER 59 17.258 4.385 3.362 460 HG SER 59 HG SER 59 16.524 3.168 5.018 461 H GLN 60 H GLN 60 19.435 4.977 1.970 462 HA GLN 60 HA GLN 60 20.697 2.429 2.163 463 HB2 GLN 60 1HB GLN 60 19.496 3.652 0.142 464 HB3 GLN 60 2HB GLN 60 21.132 4.198 -0.200 465 HG2 GLN 60 1HG GLN 60 20.986 2.288 -1.466 466 HG3 GLN 60 2HG GLN 60 21.745 1.692 0.009 467 HE21 GLN 60 2HE2 GLN 60 20.737 0.171 1.192 468 HE22 GLN 60 1HE2 GLN 60 19.195 -0.506 0.805 469 H ALA 61 H ALA 61 21.885 5.738 1.708 470 HA ALA 61 HA ALA 61 24.604 5.100 1.399 471 HB1 ALA 61 1HB ALA 61 23.293 7.346 1.065 472 HB2 ALA 61 2HB ALA 61 23.797 7.640 2.730 473 HB3 ALA 61 3HB ALA 61 25.007 7.356 1.479 474 H LYS 62 H LYS 62 22.729 5.963 4.290 475 HA LYS 62 HA LYS 62 24.917 5.815 6.086 476 HB2 LYS 62 1HB LYS 62 23.298 5.991 7.834 477 HB3 LYS 62 2HB LYS 62 22.747 7.008 6.510 478 HG2 LYS 62 1HG LYS 62 21.178 5.271 5.819 479 HG3 LYS 62 2HG LYS 62 21.736 4.242 7.141 480 HD2 LYS 62 1HD LYS 62 20.429 6.947 7.440 481 HD3 LYS 62 2HD LYS 62 19.647 5.388 7.711 482 HE2 LYS 62 1HE LYS 62 21.985 6.519 9.246 483 HE3 LYS 62 2HE LYS 62 20.326 6.372 9.823 484 HZ1 LYS 62 3HZ LYS 62 20.850 3.854 9.118 485 HZ2 LYS 62 1HZ LYS 62 21.096 4.461 10.679 486 HZ3 LYS 62 2HZ LYS 62 22.393 4.353 9.599 487 H LEU 63 H LEU 63 22.625 3.465 4.867 488 HA LEU 63 HA LEU 63 23.061 1.419 6.735 489 HB2 LEU 63 1HB LEU 63 21.216 1.422 5.129 490 HB3 LEU 63 2HB LEU 63 22.363 1.201 3.810 491 HG LEU 63 HG LEU 63 22.317 -0.841 5.970 492 HD11 LEU 63 1HD1 LEU 63 20.055 -0.946 5.738 493 HD12 LEU 63 2HD1 LEU 63 20.526 -1.955 4.371 494 HD13 LEU 63 3HD1 LEU 63 20.076 -0.270 4.109 495 HD21 LEU 63 3HD2 LEU 63 23.373 -0.521 3.326 496 HD22 LEU 63 1HD2 LEU 63 22.318 -1.933 3.382 497 HD23 LEU 63 2HD2 LEU 63 23.675 -1.801 4.502 498 H LEU 64 H LEU 64 24.597 2.013 3.581 499 HA LEU 64 HA LEU 64 26.409 -0.166 3.795 500 HB2 LEU 64 1HB LEU 64 26.710 2.310 2.109 501 HB3 LEU 64 2HB LEU 64 27.481 0.747 1.852 502 HG LEU 64 HG LEU 64 24.565 0.605 1.858 503 HD11 LEU 64 1HD1 LEU 64 25.637 1.864 -0.599 504 HD12 LEU 64 2HD1 LEU 64 25.333 2.913 0.785 505 HD13 LEU 64 3HD1 LEU 64 24.024 1.944 0.110 506 HD21 LEU 64 3HD2 LEU 64 25.443 -1.291 0.993 507 HD22 LEU 64 1HD2 LEU 64 26.888 -0.478 0.389 508 HD23 LEU 64 2HD2 LEU 64 25.374 -0.366 -0.508 509 H LEU 65 H LEU 65 26.634 3.286 4.508 510 HA LEU 65 HA LEU 65 29.390 3.360 5.073 511 HB2 LEU 65 1HB LEU 65 27.079 5.101 5.424 512 HB3 LEU 65 2HB LEU 65 28.280 5.281 6.702 513 HG LEU 65 HG LEU 65 28.996 5.467 3.786 514 HD11 LEU 65 1HD1 LEU 65 28.163 7.695 5.638 515 HD12 LEU 65 2HD1 LEU 65 27.292 7.140 4.209 516 HD13 LEU 65 3HD1 LEU 65 28.872 7.904 4.037 517 HD21 LEU 65 3HD2 LEU 65 30.820 5.072 5.373 518 HD22 LEU 65 1HD2 LEU 65 30.326 6.495 6.291 519 HD23 LEU 65 2HD2 LEU 65 30.928 6.675 4.643 520 H SER 66 H SER 66 26.676 2.228 6.890 521 HA SER 66 HA SER 66 28.156 2.198 9.398 522 HB2 SER 66 1HB SER 66 25.761 2.793 9.421 523 HB3 SER 66 2HB SER 66 25.365 1.203 8.770 524 HG SER 66 HG SER 66 25.614 1.852 11.287 525 H THR 67 H THR 67 27.242 0.065 6.818 526 HA THR 67 HA THR 67 28.057 -2.303 8.322 527 HB THR 67 HB THR 67 26.012 -2.207 6.743 528 HG1 THR 67 HG1 THR 67 27.846 -4.325 6.264 529 HG21 THR 67 3HG2 THR 67 26.288 -2.168 4.499 530 HG22 THR 67 1HG2 THR 67 27.797 -3.078 4.562 531 HG23 THR 67 2HG2 THR 67 27.796 -1.348 4.903 532 H THR 68 H THR 68 29.490 0.033 6.437 533 HA THR 68 HA THR 68 31.747 -1.753 5.834 534 HB THR 68 HB THR 68 32.108 -0.838 3.691 535 HG1 THR 68 HG1 THR 68 30.471 1.218 4.642 536 HG21 THR 68 3HG2 THR 68 30.410 -1.864 2.638 537 HG22 THR 68 1HG2 THR 68 29.202 -0.793 3.349 538 HG23 THR 68 2HG2 THR 68 29.788 -2.188 4.256 539 H ARG 69 H ARG 69 33.734 -0.347 5.208 540 HA ARG 69 HA ARG 69 33.862 1.934 7.070 541 HB2 ARG 69 1HB ARG 69 36.088 0.013 6.362 542 HB3 ARG 69 2HB ARG 69 36.200 1.360 7.487 543 HG2 ARG 69 1HG ARG 69 34.106 -0.668 8.004 544 HG3 ARG 69 2HG ARG 69 35.785 -1.136 8.282 545 HD2 ARG 69 1HD ARG 69 34.580 1.379 9.411 546 HD3 ARG 69 2HD ARG 69 34.542 -0.164 10.264 547 HE ARG 69 HE ARG 69 36.798 1.582 9.943 548 HH11 ARG 69 2HH1 ARG 69 35.788 -1.707 10.477 549 HH12 ARG 69 1HH1 ARG 69 37.267 -2.173 11.250 550 HH21 ARG 69 2HH2 ARG 69 38.750 0.981 10.959 551 HH22 ARG 69 1HH2 ARG 69 38.951 -0.643 11.525 552 H MET 70 H MET 70 33.386 1.631 4.057 553 HA MET 70 HA MET 70 35.632 2.712 2.720 554 HB2 MET 70 1HB MET 70 32.701 2.570 2.055 555 HB3 MET 70 2HB MET 70 33.844 3.383 0.994 556 HG2 MET 70 1HG MET 70 35.111 1.315 0.761 557 HG3 MET 70 2HG MET 70 33.981 0.498 1.840 558 HE1 MET 70 3HE MET 70 31.655 0.065 1.453 559 HE2 MET 70 1HE MET 70 30.967 1.504 0.701 560 HE3 MET 70 2HE MET 70 30.852 -0.056 -0.113 561 HA PRO 71 HA PRO 71 35.501 6.993 3.673 562 HB2 PRO 71 1HB PRO 71 36.214 8.110 1.303 563 HB3 PRO 71 2HB PRO 71 37.353 7.237 2.334 564 HG2 PRO 71 1HG PRO 71 35.885 6.285 -0.095 565 HG3 PRO 71 2HG PRO 71 37.577 6.022 0.364 566 HD2 PRO 71 1HD PRO 71 35.660 4.145 0.729 567 HD3 PRO 71 2HD PRO 71 37.048 4.318 1.823 568 H ILE 72 H ILE 72 34.428 9.021 3.228 569 HA ILE 72 HA ILE 72 31.705 8.728 2.582 570 HB ILE 72 HB ILE 72 33.314 11.281 2.717 571 HG12 ILE 72 1HG1 ILE 72 33.496 10.007 4.788 572 HG13 ILE 72 2HG1 ILE 72 32.470 11.415 5.038 573 HG21 ILE 72 1HG2 ILE 72 31.434 12.233 1.996 574 HG22 ILE 72 2HG2 ILE 72 30.527 10.730 2.149 575 HG23 ILE 72 3HG2 ILE 72 30.723 11.787 3.547 576 HD11 ILE 72 3HD1 ILE 72 30.519 9.809 4.591 577 HD12 ILE 72 1HD1 ILE 72 31.700 8.532 4.876 578 HD13 ILE 72 2HD1 ILE 72 31.354 9.712 6.141 579 H ALA 73 H ALA 73 34.484 9.656 0.681 580 HA ALA 73 HA ALA 73 33.120 10.820 -1.499 581 HB1 ALA 73 1HB ALA 73 35.393 11.292 -1.426 582 HB2 ALA 73 2HB ALA 73 35.836 9.605 -1.162 583 HB3 ALA 73 3HB ALA 73 35.269 10.130 -2.747 584 H THR 74 H THR 74 34.282 7.509 -0.935 585 HA THR 74 HA THR 74 33.412 6.460 -3.408 586 HB THR 74 HB THR 74 33.871 5.034 -0.781 587 HG1 THR 74 HG1 THR 74 35.900 4.544 -1.784 588 HG21 THR 74 3HG2 THR 74 33.608 3.946 -3.586 589 HG22 THR 74 1HG2 THR 74 32.490 3.678 -2.249 590 HG23 THR 74 2HG2 THR 74 34.122 3.013 -2.180 591 H VAL 75 H VAL 75 31.940 6.350 -0.166 592 HA VAL 75 HA VAL 75 29.629 4.939 -0.876 593 HB VAL 75 HB VAL 75 29.874 7.027 1.293 594 HG11 VAL 75 1HG1 VAL 75 27.638 5.662 0.402 595 HG12 VAL 75 2HG1 VAL 75 28.169 4.739 1.810 596 HG13 VAL 75 3HG1 VAL 75 27.824 6.462 1.962 597 HG21 VAL 75 3HG2 VAL 75 31.343 5.661 2.256 598 HG22 VAL 75 1HG2 VAL 75 30.052 4.468 2.398 599 HG23 VAL 75 2HG2 VAL 75 31.122 4.447 0.996 600 H GLY 76 H GLY 76 30.318 8.411 -0.881 601 HA2 GLY 76 1HA GLY 76 27.755 9.379 -1.381 602 HA3 GLY 76 2HA GLY 76 29.240 10.164 -1.896 603 H ARG 77 H ARG 77 30.073 7.933 -3.582 604 HA ARG 77 HA ARG 77 28.737 8.721 -5.971 605 HB2 ARG 77 1HB ARG 77 30.911 6.789 -5.282 606 HB3 ARG 77 2HB ARG 77 30.134 6.662 -6.855 607 HG2 ARG 77 1HG ARG 77 30.866 8.784 -7.516 608 HG3 ARG 77 2HG ARG 77 31.266 9.254 -5.863 609 HD2 ARG 77 1HD ARG 77 33.025 7.478 -5.871 610 HD3 ARG 77 2HD ARG 77 32.690 7.232 -7.584 611 HE ARG 77 HE ARG 77 33.257 9.960 -7.018 612 HH11 ARG 77 2HH1 ARG 77 34.747 6.845 -7.462 613 HH12 ARG 77 1HH1 ARG 77 36.261 7.500 -7.993 614 HH21 ARG 77 2HH2 ARG 77 35.245 10.834 -7.716 615 HH22 ARG 77 1HH2 ARG 77 36.543 9.769 -8.136 616 H ASN 78 H ASN 78 28.489 5.992 -3.795 617 HA ASN 78 HA ASN 78 27.062 4.225 -5.431 618 HB2 ASN 78 1HB ASN 78 27.655 4.493 -2.588 619 HB3 ASN 78 2HB ASN 78 26.064 3.795 -2.877 620 HD21 ASN 78 2HD2 ASN 78 28.849 2.808 -2.003 621 HD22 ASN 78 1HD2 ASN 78 29.058 1.364 -2.929 622 H VAL 79 H VAL 79 26.041 7.026 -3.607 623 HA VAL 79 HA VAL 79 23.223 6.469 -4.103 624 HB VAL 79 HB VAL 79 22.851 8.617 -2.861 625 HG11 VAL 79 1HG1 VAL 79 24.184 7.451 -0.739 626 HG12 VAL 79 2HG1 VAL 79 22.541 7.085 -1.270 627 HG13 VAL 79 3HG1 VAL 79 23.894 6.107 -1.843 628 HG21 VAL 79 3HG2 VAL 79 24.702 9.609 -1.646 629 HG22 VAL 79 1HG2 VAL 79 25.819 8.440 -2.349 630 HG23 VAL 79 2HG2 VAL 79 25.033 9.638 -3.378 631 H GLY 80 H GLY 80 25.666 7.690 -5.885 632 HA2 GLY 80 1HA GLY 80 25.380 8.609 -8.040 633 HA3 GLY 80 2HA GLY 80 23.807 9.218 -7.546 634 H PHE 81 H PHE 81 25.864 9.942 -5.093 635 HA PHE 81 HA PHE 81 26.094 12.701 -5.999 636 HB2 PHE 81 1HB PHE 81 26.527 11.401 -3.306 637 HB3 PHE 81 2HB PHE 81 26.809 13.111 -3.616 638 HD1 PHE 81 HD2 PHE 81 24.470 13.561 -5.481 639 HD2 PHE 81 HD1 PHE 81 24.785 11.565 -1.735 640 HE1 PHE 81 HE2 PHE 81 22.097 14.032 -5.035 641 HE2 PHE 81 HE1 PHE 81 22.412 12.032 -1.283 642 HZ PHE 81 HZ PHE 81 21.065 13.268 -2.933 643 H ASP 82 H ASP 82 27.880 13.368 -6.968 644 HA ASP 82 HA ASP 82 30.341 11.851 -6.735 645 HB2 ASP 82 1HB ASP 82 31.182 13.453 -8.452 646 HB3 ASP 82 2HB ASP 82 29.723 12.599 -8.945 647 H ASP 83 H ASP 83 29.010 14.895 -5.659 648 HA ASP 83 HA ASP 83 31.580 15.792 -4.623 649 HB2 ASP 83 1HB ASP 83 28.857 17.031 -4.863 650 HB3 ASP 83 2HB ASP 83 30.050 17.725 -3.769 651 H GLN 84 H GLN 84 32.258 15.192 -2.685 652 HA GLN 84 HA GLN 84 30.699 13.739 -0.852 653 HB2 GLN 84 1HB GLN 84 32.588 13.826 0.610 654 HB3 GLN 84 2HB GLN 84 33.200 13.683 -1.033 655 HG2 GLN 84 1HG GLN 84 34.568 15.334 -0.379 656 HG3 GLN 84 2HG GLN 84 33.188 16.355 -0.779 657 HE21 GLN 84 2HE2 GLN 84 34.817 14.685 1.853 658 HE22 GLN 84 1HE2 GLN 84 34.267 15.737 3.108 659 H LEU 85 H LEU 85 31.429 17.157 -1.134 660 HA LEU 85 HA LEU 85 30.466 17.918 1.425 661 HB2 LEU 85 1HB LEU 85 31.066 19.356 -1.123 662 HB3 LEU 85 2HB LEU 85 30.215 20.194 0.173 663 HG LEU 85 HG LEU 85 32.960 18.958 0.379 664 HD11 LEU 85 1HD1 LEU 85 32.342 21.248 -0.914 665 HD12 LEU 85 2HD1 LEU 85 33.867 20.963 -0.076 666 HD13 LEU 85 3HD1 LEU 85 32.573 21.851 0.728 667 HD21 LEU 85 3HD2 LEU 85 31.082 19.569 2.386 668 HD22 LEU 85 1HD2 LEU 85 32.312 20.832 2.439 669 HD23 LEU 85 2HD2 LEU 85 32.781 19.138 2.582 670 H TYR 86 H TYR 86 28.969 17.540 -1.730 671 HA TYR 86 HA TYR 86 26.519 18.806 -1.142 672 HB2 TYR 86 1HB TYR 86 27.276 18.271 -3.436 673 HB3 TYR 86 2HB TYR 86 27.049 16.559 -3.098 674 HD1 TYR 86 HD2 TYR 86 24.721 15.716 -2.617 675 HD2 TYR 86 HD1 TYR 86 25.468 19.629 -4.114 676 HE1 TYR 86 HE2 TYR 86 22.377 15.881 -3.342 677 HE2 TYR 86 HE1 TYR 86 23.126 19.804 -4.841 678 HH TYR 86 HH TYR 86 20.919 18.765 -4.210 679 H PHE 87 H PHE 87 27.488 15.388 -1.014 680 HA PHE 87 HA PHE 87 24.995 14.428 -0.085 681 HB2 PHE 87 1HB PHE 87 26.507 12.879 -1.107 682 HB3 PHE 87 2HB PHE 87 27.780 13.269 0.045 683 HD1 PHE 87 HD2 PHE 87 24.186 12.316 0.382 684 HD2 PHE 87 HD1 PHE 87 28.233 11.486 1.406 685 HE1 PHE 87 HE2 PHE 87 23.438 10.469 1.826 686 HE2 PHE 87 HE1 PHE 87 27.492 9.637 2.851 687 HZ PHE 87 HZ PHE 87 25.092 9.127 3.063 688 H SER 88 H SER 88 27.992 15.316 1.589 689 HA SER 88 HA SER 88 27.120 14.617 4.181 690 HB2 SER 88 1HB SER 88 29.301 16.384 3.113 691 HB3 SER 88 2HB SER 88 28.961 16.342 4.843 692 HG SER 88 HG SER 88 30.491 14.791 4.436 693 H ARG 89 H ARG 89 26.885 17.581 2.296 694 HA ARG 89 HA ARG 89 25.997 19.281 4.353 695 HB2 ARG 89 1HB ARG 89 25.882 19.320 1.373 696 HB3 ARG 89 2HB ARG 89 24.857 20.443 2.256 697 HG2 ARG 89 1HG ARG 89 26.661 21.592 3.147 698 HG3 ARG 89 2HG ARG 89 27.774 20.249 2.876 699 HD2 ARG 89 1HD ARG 89 27.308 20.648 0.377 700 HD3 ARG 89 2HD ARG 89 26.658 22.203 0.894 701 HE ARG 89 HE ARG 89 29.301 21.635 1.888 702 HH11 ARG 89 2HH1 ARG 89 27.432 22.991 -0.717 703 HH12 ARG 89 1HH1 ARG 89 28.713 24.014 -1.278 704 HH21 ARG 89 2HH2 ARG 89 30.996 22.976 1.159 705 HH22 ARG 89 1HH2 ARG 89 30.740 24.004 -0.210 706 H VAL 90 H VAL 90 24.161 17.430 1.928 707 HA VAL 90 HA VAL 90 21.615 18.159 2.966 708 HB VAL 90 HB VAL 90 22.367 15.822 1.204 709 HG11 VAL 90 1HG1 VAL 90 19.799 16.785 2.291 710 HG12 VAL 90 2HG1 VAL 90 19.811 16.371 0.575 711 HG13 VAL 90 3HG1 VAL 90 20.282 15.169 1.776 712 HG21 VAL 90 3HG2 VAL 90 20.947 17.990 -0.068 713 HG22 VAL 90 1HG2 VAL 90 22.452 18.553 0.659 714 HG23 VAL 90 2HG2 VAL 90 22.477 17.235 -0.513 715 H PHE 91 H PHE 91 23.632 15.254 3.284 716 HA PHE 91 HA PHE 91 21.849 13.760 4.851 717 HB2 PHE 91 1HB PHE 91 23.750 12.703 3.788 718 HB3 PHE 91 2HB PHE 91 24.869 13.689 4.723 719 HD1 PHE 91 HD1 PHE 91 25.225 13.254 7.097 720 HD2 PHE 91 HD2 PHE 91 22.680 10.786 4.742 721 HE1 PHE 91 HE1 PHE 91 25.291 11.523 8.845 722 HE2 PHE 91 HE2 PHE 91 22.740 9.052 6.487 723 HZ PHE 91 HZ PHE 91 24.047 9.420 8.542 724 H LYS 92 H LYS 92 24.247 16.182 5.701 725 HA LYS 92 HA LYS 92 24.358 15.790 8.459 726 HB2 LYS 92 1HB LYS 92 25.929 17.261 7.411 727 HB3 LYS 92 2HB LYS 92 24.644 18.296 6.801 728 HG2 LYS 92 1HG LYS 92 24.795 17.950 9.733 729 HG3 LYS 92 2HG LYS 92 26.083 18.883 8.966 730 HD2 LYS 92 1HD LYS 92 23.872 19.914 7.757 731 HD3 LYS 92 2HD LYS 92 23.250 19.542 9.367 732 HE2 LYS 92 1HE LYS 92 25.709 20.707 9.859 733 HE3 LYS 92 2HE LYS 92 25.069 21.639 8.506 734 HZ1 LYS 92 3HZ LYS 92 23.652 21.131 11.066 735 HZ2 LYS 92 1HZ LYS 92 23.060 22.045 9.772 736 HZ3 LYS 92 2HZ LYS 92 24.412 22.579 10.636 737 H LYS 93 H LYS 93 22.097 17.691 6.513 738 HA LYS 93 HA LYS 93 20.663 18.695 8.782 739 HB2 LYS 93 1HB LYS 93 19.839 18.594 5.874 740 HB3 LYS 93 2HB LYS 93 19.069 19.552 7.132 741 HG2 LYS 93 1HG LYS 93 20.919 20.989 7.319 742 HG3 LYS 93 2HG LYS 93 21.962 19.893 6.409 743 HD2 LYS 93 1HD LYS 93 20.795 20.353 4.377 744 HD3 LYS 93 2HD LYS 93 19.535 21.242 5.236 745 HE2 LYS 93 1HE LYS 93 22.364 22.149 5.476 746 HE3 LYS 93 2HE LYS 93 21.481 22.500 3.991 747 HZ1 LYS 93 3HZ LYS 93 19.689 23.375 5.602 748 HZ2 LYS 93 1HZ LYS 93 21.047 24.335 5.290 749 HZ3 LYS 93 2HZ LYS 93 20.949 23.449 6.727 750 H CYS 94 H CYS 94 20.513 15.853 6.812 751 HA CYS 94 HA CYS 94 17.870 15.065 7.149 752 HB2 CYS 94 1HB CYS 94 19.670 13.970 5.719 753 HB3 CYS 94 2HB CYS 94 20.209 13.160 7.185 754 HG CYS 94 HG CYS 94 17.480 12.104 7.538 755 H THR 95 H THR 95 20.682 14.337 9.203 756 HA THR 95 HA THR 95 18.824 13.472 11.317 757 HB THR 95 HB THR 95 20.617 12.209 12.297 758 HG1 THR 95 HG1 THR 95 22.303 13.197 10.222 759 HG21 THR 95 3HG2 THR 95 19.398 11.265 10.297 760 HG22 THR 95 1HG2 THR 95 20.976 10.550 10.628 761 HG23 THR 95 2HG2 THR 95 20.796 11.727 9.327 762 H GLY 96 H GLY 96 20.784 16.022 10.378 763 HA2 GLY 96 1HA GLY 96 20.892 18.055 11.589 764 HA3 GLY 96 2HA GLY 96 20.647 17.152 13.077 765 H ALA 97 H ALA 97 22.825 15.329 11.591 766 HA ALA 97 HA ALA 97 25.158 16.944 12.337 767 HB1 ALA 97 1HB ALA 97 25.200 14.093 13.149 768 HB2 ALA 97 2HB ALA 97 25.966 15.497 13.893 769 HB3 ALA 97 3HB ALA 97 24.242 15.207 14.126 770 H SER 98 H SER 98 27.074 16.411 11.272 771 HA SER 98 HA SER 98 26.786 15.375 8.663 772 HB2 SER 98 1HB SER 98 29.464 15.335 8.990 773 HB3 SER 98 2HB SER 98 28.555 16.812 8.674 774 HG SER 98 HG SER 98 29.423 17.448 10.481 775 HA PRO 99 HA PRO 99 27.537 11.069 9.026 776 HB2 PRO 99 1HB PRO 99 29.188 10.564 6.931 777 HB3 PRO 99 2HB PRO 99 27.475 10.952 6.733 778 HG2 PRO 99 1HG PRO 99 29.865 12.731 6.446 779 HG3 PRO 99 2HG PRO 99 28.423 12.621 5.420 780 HD2 PRO 99 1HD PRO 99 28.748 14.569 7.272 781 HD3 PRO 99 2HD PRO 99 27.155 13.911 6.848 782 H SER 100 H SER 100 30.404 13.096 8.718 783 HA SER 100 HA SER 100 32.290 11.137 9.508 784 HB2 SER 100 1HB SER 100 33.086 13.080 8.352 785 HB3 SER 100 2HB SER 100 32.376 14.159 9.553 786 HG SER 100 HG SER 100 34.373 14.054 10.286 787 H GLU 101 H GLU 101 30.279 13.405 11.272 788 HA GLU 101 HA GLU 101 31.577 13.010 13.791 789 HB2 GLU 101 1HB GLU 101 30.256 15.048 13.184 790 HB3 GLU 101 2HB GLU 101 28.797 14.071 13.268 791 HG2 GLU 101 1HG GLU 101 28.722 14.860 15.366 792 HG3 GLU 101 2HG GLU 101 29.837 13.531 15.679 793 H PHE 102 H PHE 102 28.555 11.828 12.343 794 HA PHE 102 HA PHE 102 27.689 10.294 14.517 795 HB2 PHE 102 1HB PHE 102 26.370 10.912 12.438 796 HB3 PHE 102 2HB PHE 102 27.213 9.603 11.617 797 HD1 PHE 102 HD2 PHE 102 24.962 10.362 14.457 798 HD2 PHE 102 HD1 PHE 102 26.483 7.391 11.816 799 HE1 PHE 102 HE2 PHE 102 23.285 8.767 15.292 800 HE2 PHE 102 HE1 PHE 102 24.807 5.791 12.645 801 HZ PHE 102 HZ PHE 102 23.207 6.478 14.386 802 H ARG 103 H ARG 103 29.675 9.395 11.715 803 HA ARG 103 HA ARG 103 29.953 6.676 12.304 804 HB2 ARG 103 1HB ARG 103 30.594 7.603 10.146 805 HB3 ARG 103 2HB ARG 103 31.871 8.545 10.903 806 HG2 ARG 103 1HG ARG 103 32.866 6.655 9.852 807 HG3 ARG 103 2HG ARG 103 32.945 6.410 11.598 808 HD2 ARG 103 1HD ARG 103 30.695 5.146 11.242 809 HD3 ARG 103 2HD ARG 103 31.228 5.048 9.564 810 HE ARG 103 HE ARG 103 33.372 4.159 10.964 811 HH11 ARG 103 2HH1 ARG 103 30.000 3.295 10.912 812 HH12 ARG 103 1HH1 ARG 103 30.284 1.638 11.331 813 HH21 ARG 103 2HH2 ARG 103 33.759 1.980 11.516 814 HH22 ARG 103 1HH2 ARG 103 32.423 0.891 11.675 815 H ALA 104 H ALA 104 31.827 9.474 13.372 816 HA ALA 104 HA ALA 104 33.859 8.023 14.700 817 HB1 ALA 104 1HB ALA 104 32.889 10.848 14.819 818 HB2 ALA 104 2HB ALA 104 34.079 10.266 15.985 819 HB3 ALA 104 3HB ALA 104 34.438 10.217 14.259 820 H GLY 105 H GLY 105 30.651 9.053 15.636 821 HA2 GLY 105 1HA GLY 105 29.391 8.065 17.358 822 HA3 GLY 105 2HA GLY 105 30.876 7.433 18.053 823 H CYS 106 H CYS 106 31.761 10.440 17.484 824 HA CYS 106 HA CYS 106 31.754 11.282 20.130 825 HB2 CYS 106 1HB CYS 106 33.211 12.186 18.313 826 HB3 CYS 106 2HB CYS 106 31.823 13.074 17.696 827 HG CYS 106 HG CYS 106 31.987 15.097 19.284 828 H GLU 107 H GLU 107 30.171 11.931 21.416 829 HA GLU 107 HA GLU 107 27.519 12.274 20.609 830 HB2 GLU 107 1HB GLU 107 27.109 13.127 22.859 831 HB3 GLU 107 2HB GLU 107 28.163 11.721 22.909 832 HG2 GLU 107 1HG GLU 107 29.400 14.422 22.839 833 HG3 GLU 107 2HG GLU 107 28.665 13.862 24.340 Start of MODEL 9 1 H1 MET 1 H MET 1 1.006 -1.199 0.414 2 HA MET 1 HA MET 1 1.824 0.391 -1.842 3 HB2 MET 1 1HB MET 1 3.227 -0.911 0.035 4 HB3 MET 1 2HB MET 1 3.218 -2.154 -1.209 5 HG2 MET 1 1HG MET 1 4.644 -1.034 -2.521 6 HG3 MET 1 2HG MET 1 3.906 0.526 -2.166 7 HE1 MET 1 3HE MET 1 6.236 2.179 0.127 8 HE2 MET 1 1HE MET 1 5.958 2.143 -1.615 9 HE3 MET 1 2HE MET 1 4.589 2.130 -0.503 10 H ASP 2 H ASP 2 0.867 0.093 -3.746 11 HA ASP 2 HA ASP 2 -0.277 -2.433 -4.508 12 HB2 ASP 2 1HB ASP 2 -0.944 0.080 -5.135 13 HB3 ASP 2 2HB ASP 2 0.094 -0.268 -6.515 14 H ASN 3 H ASN 3 0.355 -3.751 -6.239 15 HA ASN 3 HA ASN 3 3.056 -4.305 -6.482 16 HB2 ASN 3 1HB ASN 3 0.736 -4.956 -8.299 17 HB3 ASN 3 2HB ASN 3 2.362 -5.572 -8.581 18 HD21 ASN 3 2HD2 ASN 3 0.629 -7.461 -8.322 19 HD22 ASN 3 1HD2 ASN 3 0.659 -8.200 -6.760 20 H ARG 4 H ARG 4 0.984 -2.370 -8.607 21 HA ARG 4 HA ARG 4 2.877 -1.860 -10.610 22 HB2 ARG 4 1HB ARG 4 0.334 -0.602 -9.722 23 HB3 ARG 4 2HB ARG 4 1.383 0.354 -10.760 24 HG2 ARG 4 1HG ARG 4 0.153 -0.657 -12.364 25 HG3 ARG 4 2HG ARG 4 1.389 -1.901 -12.167 26 HD2 ARG 4 1HD ARG 4 -1.035 -2.006 -10.441 27 HD3 ARG 4 2HD ARG 4 -1.179 -2.496 -12.128 28 HE ARG 4 HE ARG 4 0.098 -3.943 -10.021 29 HH11 ARG 4 2HH1 ARG 4 0.127 -3.344 -13.450 30 HH12 ARG 4 1HH1 ARG 4 0.853 -4.868 -13.842 31 HH21 ARG 4 2HH2 ARG 4 1.054 -5.952 -10.524 32 HH22 ARG 4 1HH2 ARG 4 1.379 -6.351 -12.177 33 H VAL 5 H VAL 5 2.165 -0.175 -7.589 34 HA VAL 5 HA VAL 5 3.907 2.019 -8.050 35 HB VAL 5 HB VAL 5 2.985 0.931 -5.387 36 HG11 VAL 5 1HG1 VAL 5 3.386 3.812 -5.735 37 HG12 VAL 5 2HG1 VAL 5 3.872 2.747 -4.414 38 HG13 VAL 5 3HG1 VAL 5 4.858 2.851 -5.872 39 HG21 VAL 5 3HG2 VAL 5 1.112 2.435 -5.540 40 HG22 VAL 5 1HG2 VAL 5 1.686 3.055 -7.088 41 HG23 VAL 5 2HG2 VAL 5 1.118 1.390 -6.961 42 H ARG 6 H ARG 6 4.296 -1.116 -6.481 43 HA ARG 6 HA ARG 6 6.868 -0.621 -5.404 44 HB2 ARG 6 1HB ARG 6 5.100 -2.549 -4.973 45 HB3 ARG 6 2HB ARG 6 6.051 -3.378 -6.197 46 HG2 ARG 6 1HG ARG 6 7.301 -4.057 -4.478 47 HG3 ARG 6 2HG ARG 6 7.994 -2.435 -4.540 48 HD2 ARG 6 1HD ARG 6 6.645 -1.671 -2.783 49 HD3 ARG 6 2HD ARG 6 5.532 -3.030 -2.932 50 HE ARG 6 HE ARG 6 8.006 -2.966 -1.468 51 HH11 ARG 6 2HH1 ARG 6 5.663 -4.992 -3.056 52 HH12 ARG 6 1HH1 ARG 6 6.069 -6.404 -2.137 53 HH21 ARG 6 2HH2 ARG 6 8.550 -4.818 -0.252 54 HH22 ARG 6 1HH2 ARG 6 7.710 -6.304 -0.543 55 H GLU 7 H GLU 7 5.732 -1.810 -8.505 56 HA GLU 7 HA GLU 7 8.170 -2.797 -9.490 57 HB2 GLU 7 1HB GLU 7 5.595 -1.918 -10.683 58 HB3 GLU 7 2HB GLU 7 6.980 -2.021 -11.760 59 HG2 GLU 7 1HG GLU 7 5.906 -4.250 -10.047 60 HG3 GLU 7 2HG GLU 7 5.679 -4.073 -11.786 61 H ALA 8 H ALA 8 6.773 0.436 -9.486 62 HA ALA 8 HA ALA 8 8.551 1.692 -11.237 63 HB1 ALA 8 1HB ALA 8 6.440 2.474 -9.572 64 HB2 ALA 8 2HB ALA 8 7.824 3.456 -9.090 65 HB3 ALA 8 3HB ALA 8 7.286 3.455 -10.770 66 H CYS 9 H CYS 9 8.843 0.920 -7.818 67 HA CYS 9 HA CYS 9 11.087 2.474 -7.208 68 HB2 CYS 9 1HB CYS 9 9.825 1.442 -5.439 69 HB3 CYS 9 2HB CYS 9 10.148 -0.165 -6.077 70 HG CYS 9 HG CYS 9 13.077 0.950 -5.622 71 H GLN 10 H GLN 10 10.791 -0.650 -8.769 72 HA GLN 10 HA GLN 10 13.487 -1.439 -8.614 73 HB2 GLN 10 1HB GLN 10 11.689 -2.987 -9.219 74 HB3 GLN 10 2HB GLN 10 11.416 -2.102 -10.714 75 HG2 GLN 10 1HG GLN 10 12.670 -3.919 -11.394 76 HG3 GLN 10 2HG GLN 10 13.871 -2.638 -11.238 77 HE21 GLN 10 2HE2 GLN 10 12.474 -5.431 -9.618 78 HE22 GLN 10 1HE2 GLN 10 13.871 -5.815 -8.676 79 H TYR 11 H TYR 11 11.713 0.398 -11.070 80 HA TYR 11 HA TYR 11 13.914 0.662 -12.845 81 HB2 TYR 11 1HB TYR 11 11.717 0.932 -13.742 82 HB3 TYR 11 2HB TYR 11 11.322 2.186 -12.573 83 HD1 TYR 11 HD1 TYR 11 14.037 1.586 -15.082 84 HD2 TYR 11 HD2 TYR 11 11.183 4.298 -13.469 85 HE1 TYR 11 HE1 TYR 11 14.770 3.302 -16.685 86 HE2 TYR 11 HE2 TYR 11 11.907 6.021 -15.068 87 HH TYR 11 HH TYR 11 13.903 6.563 -16.410 88 H ILE 12 H ILE 12 12.469 2.859 -10.452 89 HA ILE 12 HA ILE 12 14.222 5.010 -10.856 90 HB ILE 12 HB ILE 12 12.790 4.227 -8.314 91 HG12 ILE 12 1HG1 ILE 12 11.921 6.306 -10.312 92 HG13 ILE 12 2HG1 ILE 12 11.439 4.621 -10.474 93 HG21 ILE 12 1HG2 ILE 12 12.961 6.878 -8.152 94 HG22 ILE 12 2HG2 ILE 12 14.209 5.809 -7.513 95 HG23 ILE 12 3HG2 ILE 12 14.425 6.573 -9.088 96 HD11 ILE 12 3HD1 ILE 12 10.756 5.072 -7.911 97 HD12 ILE 12 1HD1 ILE 12 10.523 6.681 -8.594 98 HD13 ILE 12 2HD1 ILE 12 9.668 5.299 -9.280 99 H SER 13 H SER 13 14.405 2.233 -8.670 100 HA SER 13 HA SER 13 16.641 2.995 -7.193 101 HB2 SER 13 1HB SER 13 16.891 0.655 -6.626 102 HB3 SER 13 2HB SER 13 15.171 1.034 -6.696 103 HG SER 13 HG SER 13 15.741 -0.930 -7.788 104 H ASP 14 H ASP 14 16.405 1.456 -10.350 105 HA ASP 14 HA ASP 14 19.157 0.852 -10.635 106 HB2 ASP 14 1HB ASP 14 17.265 -0.129 -11.990 107 HB3 ASP 14 2HB ASP 14 17.198 1.396 -12.869 108 H HIS 15 H HIS 15 17.291 3.741 -11.084 109 HA HIS 15 HA HIS 15 19.574 5.077 -12.360 110 HB2 HIS 15 1HB HIS 15 16.650 5.792 -12.165 111 HB3 HIS 15 2HB HIS 15 17.866 6.946 -12.706 112 HD1 HIS 15 HD1 HIS 15 17.908 7.085 -15.162 113 HD2 HIS 15 HD2 HIS 15 17.038 3.236 -13.863 114 HE1 HIS 15 HE1 HIS 15 17.626 5.717 -17.253 115 H LEU 16 H LEU 16 19.069 4.368 -9.419 116 HA LEU 16 HA LEU 16 18.612 6.664 -7.915 117 HB2 LEU 16 1HB LEU 16 18.793 4.310 -7.076 118 HB3 LEU 16 2HB LEU 16 20.543 4.462 -7.213 119 HG LEU 16 HG LEU 16 19.109 6.478 -5.568 120 HD11 LEU 16 1HD1 LEU 16 19.138 3.582 -5.017 121 HD12 LEU 16 2HD1 LEU 16 18.040 4.839 -4.449 122 HD13 LEU 16 3HD1 LEU 16 19.616 4.634 -3.684 123 HD21 LEU 16 3HD2 LEU 16 21.365 5.399 -4.297 124 HD22 LEU 16 1HD2 LEU 16 21.226 6.958 -5.109 125 HD23 LEU 16 2HD2 LEU 16 21.786 5.545 -6.004 126 H ALA 17 H ALA 17 21.419 5.664 -9.700 127 HA ALA 17 HA ALA 17 23.077 7.742 -8.490 128 HB1 ALA 17 1HB ALA 17 24.500 6.542 -10.574 129 HB2 ALA 17 2HB ALA 17 24.666 6.231 -8.845 130 HB3 ALA 17 3HB ALA 17 23.580 5.240 -9.819 131 H ASP 18 H ASP 18 21.131 7.184 -11.264 132 HA ASP 18 HA ASP 18 22.398 8.985 -13.056 133 HB2 ASP 18 1HB ASP 18 19.792 7.561 -12.934 134 HB3 ASP 18 2HB ASP 18 19.880 8.979 -13.976 135 H SER 19 H SER 19 21.810 11.097 -13.640 136 HA SER 19 HA SER 19 20.686 12.640 -11.433 137 HB2 SER 19 1HB SER 19 22.898 13.191 -12.658 138 HB3 SER 19 2HB SER 19 21.863 13.813 -13.943 139 HG SER 19 HG SER 19 22.522 14.947 -11.587 140 H ASN 20 H ASN 20 20.299 12.376 -14.963 141 HA ASN 20 HA ASN 20 17.961 14.006 -15.027 142 HB2 ASN 20 1HB ASN 20 19.067 12.070 -17.073 143 HB3 ASN 20 2HB ASN 20 17.760 13.212 -17.370 144 HD21 ASN 20 2HD2 ASN 20 20.299 13.026 -18.707 145 HD22 ASN 20 1HD2 ASN 20 21.101 14.538 -18.469 146 H PHE 21 H PHE 21 16.197 13.351 -13.959 147 HA PHE 21 HA PHE 21 15.338 10.553 -14.269 148 HB2 PHE 21 1HB PHE 21 15.765 11.302 -11.940 149 HB3 PHE 21 2HB PHE 21 14.526 12.537 -12.135 150 HD1 PHE 21 HD1 PHE 21 14.549 8.974 -13.203 151 HD2 PHE 21 HD2 PHE 21 12.812 11.947 -10.701 152 HE1 PHE 21 HE1 PHE 21 12.836 7.362 -12.482 153 HE2 PHE 21 HE2 PHE 21 11.097 10.340 -9.976 154 HZ PHE 21 HZ PHE 21 11.108 8.043 -10.865 155 H ASP 22 H ASP 22 13.556 10.137 -15.397 156 HA ASP 22 HA ASP 22 11.748 12.382 -16.016 157 HB2 ASP 22 1HB ASP 22 13.004 11.540 -17.977 158 HB3 ASP 22 2HB ASP 22 12.320 9.939 -17.708 159 H ILE 23 H ILE 23 9.992 12.198 -14.783 160 HA ILE 23 HA ILE 23 9.052 9.911 -13.524 161 HB ILE 23 HB ILE 23 8.357 12.252 -12.992 162 HG12 ILE 23 1HG1 ILE 23 6.021 11.651 -12.403 163 HG13 ILE 23 2HG1 ILE 23 6.142 10.242 -13.451 164 HG21 ILE 23 1HG2 ILE 23 6.655 13.349 -14.233 165 HG22 ILE 23 2HG2 ILE 23 7.890 12.850 -15.387 166 HG23 ILE 23 3HG2 ILE 23 6.391 11.931 -15.248 167 HD11 ILE 23 3HD1 ILE 23 6.452 9.836 -10.989 168 HD12 ILE 23 1HD1 ILE 23 7.723 9.213 -12.041 169 HD13 ILE 23 2HD1 ILE 23 7.984 10.699 -11.127 170 H ALA 24 H ALA 24 8.620 10.981 -16.792 171 HA ALA 24 HA ALA 24 6.299 9.593 -17.499 172 HB1 ALA 24 1HB ALA 24 7.096 11.169 -19.042 173 HB2 ALA 24 2HB ALA 24 8.704 10.444 -19.083 174 HB3 ALA 24 3HB ALA 24 7.341 9.607 -19.826 175 H SER 25 H SER 25 9.693 8.555 -17.538 176 HA SER 25 HA SER 25 9.251 6.014 -18.662 177 HB2 SER 25 1HB SER 25 11.459 6.992 -16.837 178 HB3 SER 25 2HB SER 25 11.483 5.447 -17.687 179 HG SER 25 HG SER 25 12.435 7.585 -18.633 180 H VAL 26 H VAL 26 8.928 7.233 -15.418 181 HA VAL 26 HA VAL 26 8.942 4.760 -14.045 182 HB VAL 26 HB VAL 26 7.565 7.339 -13.281 183 HG11 VAL 26 1HG1 VAL 26 8.335 4.967 -11.584 184 HG12 VAL 26 2HG1 VAL 26 7.621 6.472 -11.002 185 HG13 VAL 26 3HG1 VAL 26 6.695 5.406 -12.059 186 HG21 VAL 26 3HG2 VAL 26 9.999 6.647 -11.859 187 HG22 VAL 26 1HG2 VAL 26 10.270 6.856 -13.589 188 HG23 VAL 26 2HG2 VAL 26 9.542 8.157 -12.647 189 H ALA 27 H ALA 27 6.263 6.790 -15.219 190 HA ALA 27 HA ALA 27 4.217 4.994 -14.432 191 HB1 ALA 27 1HB ALA 27 4.333 7.574 -15.460 192 HB2 ALA 27 2HB ALA 27 3.473 6.640 -16.685 193 HB3 ALA 27 3HB ALA 27 2.882 6.670 -15.024 194 H GLN 28 H GLN 28 6.102 5.378 -17.373 195 HA GLN 28 HA GLN 28 4.556 3.727 -19.048 196 HB2 GLN 28 1HB GLN 28 6.202 5.199 -20.002 197 HB3 GLN 28 2HB GLN 28 7.495 4.419 -19.101 198 HG2 GLN 28 1HG GLN 28 7.176 2.376 -20.379 199 HG3 GLN 28 2HG GLN 28 5.849 3.126 -21.264 200 HE21 GLN 28 2HE2 GLN 28 8.384 2.016 -22.220 201 HE22 GLN 28 1HE2 GLN 28 9.162 3.292 -23.087 202 H HIS 29 H HIS 29 7.147 3.029 -16.771 203 HA HIS 29 HA HIS 29 7.680 0.386 -17.485 204 HB2 HIS 29 1HB HIS 29 9.152 1.459 -15.952 205 HB3 HIS 29 2HB HIS 29 7.840 1.812 -14.831 206 HD1 HIS 29 HD1 HIS 29 8.511 -1.572 -16.375 207 HD2 HIS 29 HD2 HIS 29 8.736 0.344 -12.695 208 HE1 HIS 29 HE1 HIS 29 9.020 -3.382 -14.705 209 H VAL 30 H VAL 30 5.113 1.759 -15.526 210 HA VAL 30 HA VAL 30 4.090 -0.904 -14.883 211 HB VAL 30 HB VAL 30 2.489 0.235 -13.435 212 HG11 VAL 30 1HG1 VAL 30 5.404 0.744 -13.186 213 HG12 VAL 30 2HG1 VAL 30 4.325 1.544 -12.042 214 HG13 VAL 30 3HG1 VAL 30 4.330 -0.216 -12.168 215 HG21 VAL 30 3HG2 VAL 30 3.804 2.810 -14.294 216 HG22 VAL 30 1HG2 VAL 30 2.226 2.255 -14.852 217 HG23 VAL 30 2HG2 VAL 30 2.477 2.626 -13.147 218 H CYS 31 H CYS 31 3.997 0.665 -17.562 219 HA CYS 31 HA CYS 31 2.555 0.974 -19.299 220 HB2 CYS 31 1HB CYS 31 1.332 -1.391 -17.883 221 HB3 CYS 31 2HB CYS 31 0.694 -0.780 -19.404 222 HG CYS 31 HG CYS 31 2.274 -2.143 -20.885 223 H LEU 32 H LEU 32 2.114 2.669 -17.063 224 HA LEU 32 HA LEU 32 -0.720 3.275 -17.493 225 HB2 LEU 32 1HB LEU 32 0.024 2.091 -15.204 226 HB3 LEU 32 2HB LEU 32 0.331 3.772 -14.773 227 HG LEU 32 HG LEU 32 -2.124 4.116 -15.638 228 HD11 LEU 32 1HD1 LEU 32 -2.443 1.336 -14.601 229 HD12 LEU 32 2HD1 LEU 32 -2.099 1.601 -16.310 230 HD13 LEU 32 3HD1 LEU 32 -3.543 2.304 -15.582 231 HD21 LEU 32 3HD2 LEU 32 -2.635 4.397 -13.471 232 HD22 LEU 32 1HD2 LEU 32 -0.942 3.988 -13.194 233 HD23 LEU 32 2HD2 LEU 32 -2.184 2.745 -13.046 234 H SER 33 H SER 33 -1.268 5.518 -16.809 235 HA SER 33 HA SER 33 0.656 7.341 -17.864 236 HB2 SER 33 1HB SER 33 -1.106 9.061 -17.074 237 HB3 SER 33 2HB SER 33 -1.573 7.917 -18.331 238 HG SER 33 HG SER 33 -2.289 7.958 -15.609 239 HA PRO 34 HA PRO 34 2.760 8.708 -14.266 240 HB2 PRO 34 1HB PRO 34 3.081 11.354 -14.782 241 HB3 PRO 34 2HB PRO 34 3.978 10.093 -15.636 242 HG2 PRO 34 1HG PRO 34 1.539 11.599 -16.500 243 HG3 PRO 34 2HG PRO 34 2.983 11.174 -17.438 244 HD2 PRO 34 1HD PRO 34 0.667 9.784 -17.621 245 HD3 PRO 34 2HD PRO 34 2.257 9.020 -17.818 246 H SER 35 H SER 35 -0.033 10.667 -15.219 247 HA SER 35 HA SER 35 -0.346 12.012 -12.755 248 HB2 SER 35 1HB SER 35 -2.720 12.380 -13.596 249 HB3 SER 35 2HB SER 35 -1.431 12.946 -14.657 250 HG SER 35 HG SER 35 -2.838 11.815 -15.926 251 H ARG 36 H ARG 36 -1.877 9.092 -14.074 252 HA ARG 36 HA ARG 36 -3.514 8.599 -11.815 253 HB2 ARG 36 1HB ARG 36 -2.538 6.779 -14.019 254 HB3 ARG 36 2HB ARG 36 -3.696 6.286 -12.790 255 HG2 ARG 36 1HG ARG 36 -4.133 8.623 -14.630 256 HG3 ARG 36 2HG ARG 36 -4.681 6.983 -14.983 257 HD2 ARG 36 1HD ARG 36 -6.253 7.002 -13.295 258 HD3 ARG 36 2HD ARG 36 -5.399 8.239 -12.374 259 HE ARG 36 HE ARG 36 -6.593 9.823 -13.498 260 HH11 ARG 36 2HH1 ARG 36 -6.684 6.858 -15.320 261 HH12 ARG 36 1HH1 ARG 36 -7.801 7.463 -16.498 262 HH21 ARG 36 2HH2 ARG 36 -8.064 10.631 -15.043 263 HH22 ARG 36 1HH2 ARG 36 -8.585 9.610 -16.340 264 H LEU 37 H LEU 37 -0.353 7.341 -12.817 265 HA LEU 37 HA LEU 37 -0.030 5.548 -10.663 266 HB2 LEU 37 1HB LEU 37 1.300 5.321 -12.646 267 HB3 LEU 37 2HB LEU 37 1.982 6.931 -12.426 268 HG LEU 37 HG LEU 37 2.907 5.924 -10.200 269 HD11 LEU 37 1HD1 LEU 37 2.363 3.792 -9.874 270 HD12 LEU 37 2HD1 LEU 37 3.480 3.406 -11.182 271 HD13 LEU 37 3HD1 LEU 37 1.762 3.612 -11.522 272 HD21 LEU 37 3HD2 LEU 37 4.455 4.723 -12.334 273 HD22 LEU 37 1HD2 LEU 37 4.858 6.065 -11.262 274 HD23 LEU 37 2HD2 LEU 37 3.934 6.360 -12.735 275 H SER 38 H SER 38 1.040 8.896 -11.143 276 HA SER 38 HA SER 38 2.486 9.171 -8.762 277 HB2 SER 38 1HB SER 38 1.032 11.186 -10.477 278 HB3 SER 38 2HB SER 38 1.979 11.652 -9.064 279 HG SER 38 HG SER 38 3.805 10.993 -10.052 280 H HIS 39 H HIS 39 -0.943 9.600 -9.460 281 HA HIS 39 HA HIS 39 -1.726 10.772 -7.045 282 HB2 HIS 39 1HB HIS 39 -3.186 10.628 -9.023 283 HB3 HIS 39 2HB HIS 39 -3.305 8.884 -8.806 284 HD1 HIS 39 HD1 HIS 39 -4.882 12.016 -7.843 285 HD2 HIS 39 HD2 HIS 39 -4.668 8.158 -6.316 286 HE1 HIS 39 HE1 HIS 39 -6.769 11.842 -6.189 287 H LEU 40 H LEU 40 -1.636 7.341 -7.981 288 HA LEU 40 HA LEU 40 -2.453 6.412 -5.409 289 HB2 LEU 40 1HB LEU 40 -1.000 4.836 -7.519 290 HB3 LEU 40 2HB LEU 40 -2.046 4.219 -6.242 291 HG LEU 40 HG LEU 40 -2.988 5.905 -8.559 292 HD11 LEU 40 1HD1 LEU 40 -3.126 4.080 -9.813 293 HD12 LEU 40 2HD1 LEU 40 -3.944 3.193 -8.527 294 HD13 LEU 40 3HD1 LEU 40 -2.182 3.230 -8.590 295 HD21 LEU 40 3HD2 LEU 40 -4.662 6.214 -7.065 296 HD22 LEU 40 1HD2 LEU 40 -4.263 4.761 -6.149 297 HD23 LEU 40 2HD2 LEU 40 -5.162 4.630 -7.660 298 H PHE 41 H PHE 41 0.614 7.072 -6.944 299 HA PHE 41 HA PHE 41 2.314 5.653 -5.237 300 HB2 PHE 41 1HB PHE 41 2.677 7.226 -7.429 301 HB3 PHE 41 2HB PHE 41 3.306 8.273 -6.160 302 HD1 PHE 41 HD1 PHE 41 5.266 7.628 -4.872 303 HD2 PHE 41 HD2 PHE 41 3.792 5.189 -8.034 304 HE1 PHE 41 HE1 PHE 41 7.391 6.387 -4.901 305 HE2 PHE 41 HE2 PHE 41 5.914 3.944 -8.068 306 HZ PHE 41 HZ PHE 41 7.717 4.542 -6.500 307 H ARG 42 H ARG 42 1.229 9.038 -5.053 308 HA ARG 42 HA ARG 42 2.548 9.597 -2.611 309 HB2 ARG 42 1HB ARG 42 1.839 11.363 -4.157 310 HB3 ARG 42 2HB ARG 42 0.154 10.951 -3.867 311 HG2 ARG 42 1HG ARG 42 0.183 11.817 -1.711 312 HG3 ARG 42 2HG ARG 42 1.944 11.760 -1.610 313 HD2 ARG 42 1HD ARG 42 2.142 13.572 -3.182 314 HD3 ARG 42 2HD ARG 42 0.403 13.563 -3.470 315 HE ARG 42 HE ARG 42 1.784 14.808 -1.294 316 HH11 ARG 42 2HH1 ARG 42 -1.220 13.348 -2.278 317 HH12 ARG 42 1HH1 ARG 42 -2.170 14.209 -1.113 318 HH21 ARG 42 2HH2 ARG 42 0.543 15.948 0.244 319 HH22 ARG 42 1HH2 ARG 42 -1.167 15.688 0.320 320 H GLN 43 H GLN 43 -0.475 8.094 -3.392 321 HA GLN 43 HA GLN 43 -1.633 8.422 -0.781 322 HB2 GLN 43 1HB GLN 43 -3.000 8.184 -2.842 323 HB3 GLN 43 2HB GLN 43 -2.429 6.529 -2.999 324 HG2 GLN 43 1HG GLN 43 -4.688 6.736 -2.003 325 HG3 GLN 43 2HG GLN 43 -3.529 5.879 -0.988 326 HE21 GLN 43 2HE2 GLN 43 -4.965 9.063 -1.524 327 HE22 GLN 43 1HE2 GLN 43 -4.922 9.557 0.130 328 H GLN 44 H GLN 44 0.122 5.898 -2.503 329 HA GLN 44 HA GLN 44 -0.175 3.996 -0.353 330 HB2 GLN 44 1HB GLN 44 1.449 3.966 -2.898 331 HB3 GLN 44 2HB GLN 44 1.447 2.645 -1.737 332 HG2 GLN 44 1HG GLN 44 -0.906 3.668 -3.307 333 HG3 GLN 44 2HG GLN 44 -0.055 2.143 -3.543 334 HE21 GLN 44 2HE2 GLN 44 -2.813 2.358 -3.108 335 HE22 GLN 44 1HE2 GLN 44 -3.186 1.608 -1.597 336 H LEU 45 H LEU 45 2.360 6.110 -1.612 337 HA LEU 45 HA LEU 45 4.222 5.241 0.444 338 HB2 LEU 45 1HB LEU 45 4.399 6.533 -2.116 339 HB3 LEU 45 2HB LEU 45 5.251 7.481 -0.899 340 HG LEU 45 HG LEU 45 6.213 4.999 -0.379 341 HD11 LEU 45 1HD1 LEU 45 6.819 4.036 -2.593 342 HD12 LEU 45 2HD1 LEU 45 5.666 5.143 -3.337 343 HD13 LEU 45 3HD1 LEU 45 5.103 3.918 -2.201 344 HD21 LEU 45 3HD2 LEU 45 8.091 5.805 -2.047 345 HD22 LEU 45 1HD2 LEU 45 7.791 6.644 -0.525 346 HD23 LEU 45 2HD2 LEU 45 7.141 7.291 -2.031 347 H GLY 46 H GLY 46 1.819 7.601 0.038 348 HA2 GLY 46 1HA GLY 46 1.099 9.294 1.415 349 HA3 GLY 46 2HA GLY 46 2.209 8.673 2.628 350 H ILE 47 H ILE 47 3.801 9.357 -0.257 351 HA ILE 47 HA ILE 47 4.316 12.148 0.388 352 HB ILE 47 HB ILE 47 6.705 11.915 0.534 353 HG12 ILE 47 1HG1 ILE 47 6.237 8.945 0.191 354 HG13 ILE 47 2HG1 ILE 47 6.984 10.016 -0.990 355 HG21 ILE 47 1HG2 ILE 47 5.383 9.918 2.365 356 HG22 ILE 47 2HG2 ILE 47 6.912 10.746 2.653 357 HG23 ILE 47 3HG2 ILE 47 5.409 11.665 2.603 358 HD11 ILE 47 3HD1 ILE 47 8.622 8.672 0.234 359 HD12 ILE 47 1HD1 ILE 47 8.849 10.401 0.497 360 HD13 ILE 47 2HD1 ILE 47 8.087 9.411 1.743 361 H SER 48 H SER 48 5.923 13.089 -1.241 362 HA SER 48 HA SER 48 4.971 12.428 -3.868 363 HB2 SER 48 1HB SER 48 5.577 14.768 -2.899 364 HB3 SER 48 2HB SER 48 7.230 14.339 -3.339 365 HG SER 48 HG SER 48 5.549 15.418 -4.915 366 H VAL 49 H VAL 49 6.213 11.755 -5.648 367 HA VAL 49 HA VAL 49 7.979 9.661 -5.221 368 HB VAL 49 HB VAL 49 7.898 11.379 -7.703 369 HG11 VAL 49 1HG1 VAL 49 9.762 9.777 -7.573 370 HG12 VAL 49 2HG1 VAL 49 8.602 8.468 -7.338 371 HG13 VAL 49 3HG1 VAL 49 8.620 9.371 -8.854 372 HG21 VAL 49 3HG2 VAL 49 5.646 10.770 -7.231 373 HG22 VAL 49 1HG2 VAL 49 6.222 9.680 -8.492 374 HG23 VAL 49 2HG2 VAL 49 6.112 9.118 -6.825 375 H LEU 50 H LEU 50 8.691 13.045 -6.027 376 HA LEU 50 HA LEU 50 11.481 12.775 -6.212 377 HB2 LEU 50 1HB LEU 50 9.582 15.020 -5.818 378 HB3 LEU 50 2HB LEU 50 11.278 15.313 -5.439 379 HG LEU 50 HG LEU 50 11.906 14.758 -7.721 380 HD11 LEU 50 1HD1 LEU 50 10.357 13.118 -8.377 381 HD12 LEU 50 2HD1 LEU 50 10.016 14.512 -9.401 382 HD13 LEU 50 3HD1 LEU 50 8.978 14.157 -8.020 383 HD21 LEU 50 3HD2 LEU 50 10.921 17.065 -6.947 384 HD22 LEU 50 1HD2 LEU 50 9.623 16.641 -8.064 385 HD23 LEU 50 2HD2 LEU 50 11.283 16.761 -8.647 386 H SER 51 H SER 51 9.342 13.127 -3.481 387 HA SER 51 HA SER 51 11.357 13.836 -1.588 388 HB2 SER 51 1HB SER 51 8.487 13.274 -1.557 389 HB3 SER 51 2HB SER 51 9.319 12.676 -0.122 390 HG SER 51 HG SER 51 9.315 15.326 -1.133 391 H TRP 52 H TRP 52 9.712 10.800 -2.414 392 HA TRP 52 HA TRP 52 10.954 9.170 -0.513 393 HB2 TRP 52 1HB TRP 52 9.046 8.334 -1.688 394 HB3 TRP 52 2HB TRP 52 9.838 8.544 -3.248 395 HD1 TRP 52 HD1 TRP 52 10.174 6.360 -0.066 396 HE1 TRP 52 HE1 TRP 52 11.166 4.089 -0.763 397 HE3 TRP 52 HE3 TRP 52 11.017 7.327 -5.015 398 HZ2 TRP 52 HZ2 TRP 52 12.173 2.870 -3.101 399 HZ3 TRP 52 HZ3 TRP 52 11.998 5.555 -6.412 400 HH2 TRP 52 HH2 TRP 52 12.564 3.373 -5.473 401 H ARG 53 H ARG 53 11.959 10.090 -3.773 402 HA ARG 53 HA ARG 53 14.142 8.375 -4.048 403 HB2 ARG 53 1HB ARG 53 13.005 10.158 -5.673 404 HB3 ARG 53 2HB ARG 53 14.358 11.140 -5.128 405 HG2 ARG 53 1HG ARG 53 14.998 8.399 -6.017 406 HG3 ARG 53 2HG ARG 53 14.472 9.536 -7.259 407 HD2 ARG 53 1HD ARG 53 16.512 10.461 -5.312 408 HD3 ARG 53 2HD ARG 53 17.018 9.296 -6.535 409 HE ARG 53 HE ARG 53 16.330 12.061 -6.947 410 HH11 ARG 53 2HH1 ARG 53 16.636 8.922 -8.421 411 HH12 ARG 53 1HH1 ARG 53 16.845 9.550 -10.022 412 HH21 ARG 53 2HH2 ARG 53 16.605 12.900 -9.050 413 HH22 ARG 53 1HH2 ARG 53 16.828 11.813 -10.379 414 H GLU 54 H GLU 54 13.994 11.664 -2.709 415 HA GLU 54 HA GLU 54 16.750 11.852 -2.110 416 HB2 GLU 54 1HB GLU 54 15.231 13.802 -2.280 417 HB3 GLU 54 2HB GLU 54 14.438 13.291 -0.797 418 HG2 GLU 54 1HG GLU 54 16.588 13.546 0.394 419 HG3 GLU 54 2HG GLU 54 17.301 14.166 -1.094 420 H ASP 55 H ASP 55 13.943 10.890 -0.174 421 HA ASP 55 HA ASP 55 15.306 10.545 2.263 422 HB2 ASP 55 1HB ASP 55 12.724 10.531 1.632 423 HB3 ASP 55 2HB ASP 55 12.986 8.789 1.605 424 H GLN 56 H GLN 56 14.753 8.384 -0.462 425 HA GLN 56 HA GLN 56 15.727 6.035 0.792 426 HB2 GLN 56 1HB GLN 56 14.977 6.862 -1.938 427 HB3 GLN 56 2HB GLN 56 16.170 5.573 -1.851 428 HG2 GLN 56 1HG GLN 56 13.460 5.556 -0.542 429 HG3 GLN 56 2HG GLN 56 13.906 4.696 -2.015 430 HE21 GLN 56 2HE2 GLN 56 13.702 4.549 1.332 431 HE22 GLN 56 1HE2 GLN 56 14.577 3.080 1.578 432 H ARG 57 H ARG 57 17.244 8.586 -1.102 433 HA ARG 57 HA ARG 57 19.736 7.363 -1.509 434 HB2 ARG 57 1HB ARG 57 18.853 10.235 -1.374 435 HB3 ARG 57 2HB ARG 57 20.543 9.812 -1.617 436 HG2 ARG 57 1HG ARG 57 20.070 8.736 -3.675 437 HG3 ARG 57 2HG ARG 57 18.331 8.810 -3.386 438 HD2 ARG 57 1HD ARG 57 18.398 10.657 -4.652 439 HD3 ARG 57 2HD ARG 57 19.040 11.436 -3.206 440 HE ARG 57 HE ARG 57 21.262 10.485 -4.384 441 HH11 ARG 57 2HH1 ARG 57 18.584 12.356 -5.588 442 HH12 ARG 57 1HH1 ARG 57 19.529 13.181 -6.783 443 HH21 ARG 57 2HH2 ARG 57 22.516 11.565 -5.953 444 HH22 ARG 57 1HH2 ARG 57 21.765 12.730 -6.991 445 H ILE 58 H ILE 58 18.531 9.382 1.137 446 HA ILE 58 HA ILE 58 20.995 9.492 2.547 447 HB ILE 58 HB ILE 58 18.198 9.845 3.632 448 HG12 ILE 58 1HG1 ILE 58 18.619 11.388 1.795 449 HG13 ILE 58 2HG1 ILE 58 18.630 12.262 3.323 450 HG21 ILE 58 1HG2 ILE 58 20.871 10.719 4.719 451 HG22 ILE 58 2HG2 ILE 58 19.302 11.142 5.401 452 HG23 ILE 58 3HG2 ILE 58 19.832 9.460 5.386 453 HD11 ILE 58 3HD1 ILE 58 20.699 11.992 1.329 454 HD12 ILE 58 1HD1 ILE 58 20.554 13.137 2.663 455 HD13 ILE 58 2HD1 ILE 58 21.273 11.549 2.937 456 H SER 59 H SER 59 18.102 7.462 2.871 457 HA SER 59 HA SER 59 19.017 5.999 5.111 458 HB2 SER 59 1HB SER 59 16.639 6.101 4.430 459 HB3 SER 59 2HB SER 59 17.023 5.153 2.993 460 HG SER 59 HG SER 59 16.815 4.365 5.647 461 H GLN 60 H GLN 60 19.498 5.655 1.670 462 HA GLN 60 HA GLN 60 20.470 2.989 1.709 463 HB2 GLN 60 1HB GLN 60 19.634 4.141 -0.328 464 HB3 GLN 60 2HB GLN 60 21.058 5.173 -0.296 465 HG2 GLN 60 1HG GLN 60 21.332 3.395 -1.908 466 HG3 GLN 60 2HG GLN 60 22.485 3.212 -0.587 467 HE21 GLN 60 2HE2 GLN 60 22.792 1.145 -0.203 468 HE22 GLN 60 1HE2 GLN 60 21.568 -0.072 -0.124 469 H ALA 61 H ALA 61 22.058 6.154 1.819 470 HA ALA 61 HA ALA 61 24.709 5.258 1.724 471 HB1 ALA 61 1HB ALA 61 23.677 7.665 1.622 472 HB2 ALA 61 2HB ALA 61 23.999 7.648 3.356 473 HB3 ALA 61 3HB ALA 61 25.320 7.415 2.212 474 H LYS 62 H LYS 62 22.579 5.866 4.499 475 HA LYS 62 HA LYS 62 24.531 5.167 6.453 476 HB2 LYS 62 1HB LYS 62 21.518 5.242 6.701 477 HB3 LYS 62 2HB LYS 62 22.661 5.202 8.036 478 HG2 LYS 62 1HG LYS 62 23.235 7.391 7.797 479 HG3 LYS 62 2HG LYS 62 22.920 7.400 6.060 480 HD2 LYS 62 1HD LYS 62 21.256 8.745 7.163 481 HD3 LYS 62 2HD LYS 62 20.490 7.277 6.551 482 HE2 LYS 62 1HE LYS 62 20.822 6.299 8.859 483 HE3 LYS 62 2HE LYS 62 21.266 7.921 9.387 484 HZ1 LYS 62 3HZ LYS 62 18.673 7.164 8.151 485 HZ2 LYS 62 1HZ LYS 62 19.101 8.713 8.680 486 HZ3 LYS 62 2HZ LYS 62 18.930 7.455 9.798 487 H LEU 63 H LEU 63 22.082 3.402 4.677 488 HA LEU 63 HA LEU 63 22.120 1.051 6.259 489 HB2 LEU 63 1HB LEU 63 20.260 1.322 4.867 490 HB3 LEU 63 2HB LEU 63 21.257 1.666 3.455 491 HG LEU 63 HG LEU 63 21.880 -0.653 3.268 492 HD11 LEU 63 1HD1 LEU 63 20.361 -2.129 4.965 493 HD12 LEU 63 2HD1 LEU 63 20.811 -0.772 5.997 494 HD13 LEU 63 3HD1 LEU 63 22.063 -1.741 5.220 495 HD21 LEU 63 3HD2 LEU 63 19.466 -1.646 3.160 496 HD22 LEU 63 1HD2 LEU 63 19.941 -0.344 2.069 497 HD23 LEU 63 2HD2 LEU 63 18.980 0.015 3.504 498 H LEU 64 H LEU 64 23.737 1.888 3.200 499 HA LEU 64 HA LEU 64 25.189 -0.549 3.034 500 HB2 LEU 64 1HB LEU 64 26.265 0.376 1.171 501 HB3 LEU 64 2HB LEU 64 24.636 1.048 1.150 502 HG LEU 64 HG LEU 64 25.860 3.031 2.435 503 HD11 LEU 64 1HD1 LEU 64 28.013 1.410 1.312 504 HD12 LEU 64 2HD1 LEU 64 28.064 2.678 2.536 505 HD13 LEU 64 3HD1 LEU 64 28.067 3.105 0.825 506 HD21 LEU 64 3HD2 LEU 64 25.844 2.559 -0.542 507 HD22 LEU 64 1HD2 LEU 64 26.148 4.120 0.221 508 HD23 LEU 64 2HD2 LEU 64 24.584 3.330 0.424 509 H LEU 65 H LEU 65 25.894 2.639 4.354 510 HA LEU 65 HA LEU 65 28.637 2.327 4.797 511 HB2 LEU 65 1HB LEU 65 26.489 4.012 5.974 512 HB3 LEU 65 2HB LEU 65 28.037 3.931 6.813 513 HG LEU 65 HG LEU 65 27.868 4.669 3.908 514 HD11 LEU 65 1HD1 LEU 65 26.666 6.456 4.536 515 HD12 LEU 65 2HD1 LEU 65 28.202 7.045 5.171 516 HD13 LEU 65 3HD1 LEU 65 27.053 6.246 6.244 517 HD21 LEU 65 3HD2 LEU 65 29.954 5.966 4.693 518 HD22 LEU 65 1HD2 LEU 65 30.073 4.218 4.491 519 HD23 LEU 65 2HD2 LEU 65 29.893 4.909 6.104 520 H SER 66 H SER 66 25.879 1.102 6.528 521 HA SER 66 HA SER 66 27.260 0.438 8.933 522 HB2 SER 66 1HB SER 66 24.618 -0.423 7.758 523 HB3 SER 66 2HB SER 66 25.220 -1.073 9.283 524 HG SER 66 HG SER 66 24.079 0.652 9.910 525 H THR 67 H THR 67 26.868 -1.080 5.846 526 HA THR 67 HA THR 67 28.108 -3.546 6.872 527 HB THR 67 HB THR 67 25.992 -3.976 5.764 528 HG1 THR 67 HG1 THR 67 26.777 -5.479 4.246 529 HG21 THR 67 3HG2 THR 67 26.021 -3.542 3.187 530 HG22 THR 67 1HG2 THR 67 27.194 -2.293 3.603 531 HG23 THR 67 2HG2 THR 67 25.571 -2.242 4.291 532 H THR 68 H THR 68 29.059 -0.749 5.628 533 HA THR 68 HA THR 68 31.282 -1.984 4.152 534 HB THR 68 HB THR 68 31.305 -0.156 2.542 535 HG1 THR 68 HG1 THR 68 30.378 1.608 3.302 536 HG21 THR 68 3HG2 THR 68 28.584 -0.670 1.993 537 HG22 THR 68 1HG2 THR 68 29.234 -2.120 2.758 538 HG23 THR 68 2HG2 THR 68 29.998 -1.470 1.307 539 H ARG 69 H ARG 69 33.229 -0.657 4.079 540 HA ARG 69 HA ARG 69 33.390 1.233 6.334 541 HB2 ARG 69 1HB ARG 69 35.789 0.431 6.555 542 HB3 ARG 69 2HB ARG 69 34.541 -0.703 7.056 543 HG2 ARG 69 1HG ARG 69 35.493 -0.877 4.257 544 HG3 ARG 69 2HG ARG 69 36.587 -1.418 5.532 545 HD2 ARG 69 1HD ARG 69 33.772 -2.343 5.655 546 HD3 ARG 69 2HD ARG 69 34.797 -3.030 4.396 547 HE ARG 69 HE ARG 69 35.997 -3.082 7.004 548 HH11 ARG 69 2HH1 ARG 69 33.865 -4.741 4.807 549 HH12 ARG 69 1HH1 ARG 69 34.113 -6.294 5.534 550 HH21 ARG 69 2HH2 ARG 69 36.331 -5.121 7.969 551 HH22 ARG 69 1HH2 ARG 69 35.515 -6.509 7.333 552 H MET 70 H MET 70 33.090 1.464 3.293 553 HA MET 70 HA MET 70 35.490 2.603 2.300 554 HB2 MET 70 1HB MET 70 32.621 2.675 1.413 555 HB3 MET 70 2HB MET 70 33.839 3.645 0.596 556 HG2 MET 70 1HG MET 70 35.077 1.686 -0.012 557 HG3 MET 70 2HG MET 70 34.011 0.664 0.950 558 HE1 MET 70 3HE MET 70 31.503 0.192 0.376 559 HE2 MET 70 1HE MET 70 31.128 1.913 0.268 560 HE3 MET 70 2HE MET 70 30.664 0.826 -1.041 561 HA PRO 71 HA PRO 71 35.454 6.689 3.898 562 HB2 PRO 71 1HB PRO 71 36.375 8.124 1.786 563 HB3 PRO 71 2HB PRO 71 37.404 7.046 2.737 564 HG2 PRO 71 1HG PRO 71 36.077 6.556 0.099 565 HG3 PRO 71 2HG PRO 71 37.721 6.143 0.618 566 HD2 PRO 71 1HD PRO 71 35.713 4.328 0.558 567 HD3 PRO 71 2HD PRO 71 37.025 4.261 1.752 568 H ILE 72 H ILE 72 34.552 8.862 3.630 569 HA ILE 72 HA ILE 72 31.849 8.830 2.902 570 HB ILE 72 HB ILE 72 33.635 11.244 3.229 571 HG12 ILE 72 1HG1 ILE 72 31.911 9.779 5.239 572 HG13 ILE 72 2HG1 ILE 72 33.670 9.784 5.201 573 HG21 ILE 72 1HG2 ILE 72 31.533 11.752 2.092 574 HG22 ILE 72 2HG2 ILE 72 30.636 10.990 3.404 575 HG23 ILE 72 3HG2 ILE 72 31.571 12.454 3.709 576 HD11 ILE 72 3HD1 ILE 72 31.912 12.179 5.674 577 HD12 ILE 72 1HD1 ILE 72 32.809 11.287 6.903 578 HD13 ILE 72 2HD1 ILE 72 33.675 12.177 5.651 579 H ALA 73 H ALA 73 34.717 9.681 1.100 580 HA ALA 73 HA ALA 73 33.481 11.088 -1.009 581 HB1 ALA 73 1HB ALA 73 35.850 11.257 -0.690 582 HB2 ALA 73 2HB ALA 73 36.054 9.522 -0.931 583 HB3 ALA 73 3HB ALA 73 35.552 10.546 -2.276 584 H THR 74 H THR 74 34.364 7.664 -0.659 585 HA THR 74 HA THR 74 33.398 6.884 -3.212 586 HB THR 74 HB THR 74 33.721 5.115 -0.783 587 HG1 THR 74 HG1 THR 74 35.685 5.491 -2.784 588 HG21 THR 74 3HG2 THR 74 33.662 4.579 -3.749 589 HG22 THR 74 1HG2 THR 74 32.555 3.968 -2.520 590 HG23 THR 74 2HG2 THR 74 34.226 3.405 -2.561 591 H VAL 75 H VAL 75 32.030 6.563 0.061 592 HA VAL 75 HA VAL 75 29.641 5.314 -0.634 593 HB VAL 75 HB VAL 75 30.122 7.276 1.613 594 HG11 VAL 75 1HG1 VAL 75 27.925 5.242 1.241 595 HG12 VAL 75 2HG1 VAL 75 28.189 6.221 2.686 596 HG13 VAL 75 3HG1 VAL 75 27.744 6.994 1.165 597 HG21 VAL 75 3HG2 VAL 75 31.352 5.676 2.542 598 HG22 VAL 75 1HG2 VAL 75 29.950 4.606 2.518 599 HG23 VAL 75 2HG2 VAL 75 31.071 4.622 1.156 600 H GLY 76 H GLY 76 30.463 8.755 -0.531 601 HA2 GLY 76 1HA GLY 76 27.925 9.833 -0.928 602 HA3 GLY 76 2HA GLY 76 29.426 10.585 -1.448 603 H ARG 77 H ARG 77 30.137 8.390 -3.237 604 HA ARG 77 HA ARG 77 28.781 9.323 -5.562 605 HB2 ARG 77 1HB ARG 77 31.206 8.293 -5.209 606 HB3 ARG 77 2HB ARG 77 30.370 6.803 -5.625 607 HG2 ARG 77 1HG ARG 77 31.291 7.670 -7.624 608 HG3 ARG 77 2HG ARG 77 29.550 7.951 -7.696 609 HD2 ARG 77 1HD ARG 77 30.456 9.970 -8.417 610 HD3 ARG 77 2HD ARG 77 30.098 10.265 -6.716 611 HE ARG 77 HE ARG 77 32.338 10.507 -6.324 612 HH11 ARG 77 2HH1 ARG 77 31.883 8.961 -9.410 613 HH12 ARG 77 1HH1 ARG 77 33.558 9.047 -9.847 614 HH21 ARG 77 2HH2 ARG 77 34.546 10.627 -6.888 615 HH22 ARG 77 1HH2 ARG 77 35.071 9.994 -8.411 616 H ASN 78 H ASN 78 28.475 6.521 -3.488 617 HA ASN 78 HA ASN 78 26.945 4.877 -5.159 618 HB2 ASN 78 1HB ASN 78 27.073 5.138 -2.155 619 HB3 ASN 78 2HB ASN 78 26.078 3.924 -2.956 620 HD21 ASN 78 2HD2 ASN 78 29.367 5.090 -2.552 621 HD22 ASN 78 1HD2 ASN 78 30.140 3.585 -2.901 622 H VAL 79 H VAL 79 26.071 7.627 -3.184 623 HA VAL 79 HA VAL 79 23.225 7.196 -3.600 624 HB VAL 79 HB VAL 79 22.927 9.254 -2.275 625 HG11 VAL 79 1HG1 VAL 79 23.287 8.229 -0.259 626 HG12 VAL 79 2HG1 VAL 79 23.434 6.845 -1.343 627 HG13 VAL 79 3HG1 VAL 79 24.882 7.636 -0.720 628 HG21 VAL 79 3HG2 VAL 79 24.708 10.506 -1.404 629 HG22 VAL 79 1HG2 VAL 79 25.894 9.268 -1.818 630 HG23 VAL 79 2HG2 VAL 79 25.145 10.232 -3.091 631 H GLY 80 H GLY 80 25.668 8.403 -5.428 632 HA2 GLY 80 1HA GLY 80 25.345 9.353 -7.567 633 HA3 GLY 80 2HA GLY 80 23.791 9.974 -7.030 634 H PHE 81 H PHE 81 26.611 10.397 -5.051 635 HA PHE 81 HA PHE 81 26.727 13.226 -5.862 636 HB2 PHE 81 1HB PHE 81 26.931 12.076 -3.073 637 HB3 PHE 81 2HB PHE 81 27.263 13.756 -3.481 638 HD1 PHE 81 HD1 PHE 81 25.025 14.062 -5.524 639 HD2 PHE 81 HD2 PHE 81 25.122 12.429 -1.594 640 HE1 PHE 81 HE1 PHE 81 22.641 14.601 -5.245 641 HE2 PHE 81 HE2 PHE 81 22.738 12.964 -1.309 642 HZ PHE 81 HZ PHE 81 21.494 14.050 -3.136 643 H ASP 82 H ASP 82 28.620 13.690 -6.743 644 HA ASP 82 HA ASP 82 30.924 12.003 -6.306 645 HB2 ASP 82 1HB ASP 82 30.696 12.709 -8.540 646 HB3 ASP 82 2HB ASP 82 30.364 14.374 -8.072 647 H ASP 83 H ASP 83 29.792 15.154 -5.316 648 HA ASP 83 HA ASP 83 32.343 15.910 -4.173 649 HB2 ASP 83 1HB ASP 83 29.678 17.203 -4.498 650 HB3 ASP 83 2HB ASP 83 30.716 17.781 -3.197 651 H GLN 84 H GLN 84 33.011 15.229 -2.258 652 HA GLN 84 HA GLN 84 31.437 13.712 -0.493 653 HB2 GLN 84 1HB GLN 84 33.811 13.420 -0.480 654 HB3 GLN 84 2HB GLN 84 34.079 15.119 -0.117 655 HG2 GLN 84 1HG GLN 84 32.482 13.552 1.820 656 HG3 GLN 84 2HG GLN 84 34.211 13.220 1.729 657 HE21 GLN 84 2HE2 GLN 84 35.667 15.033 2.014 658 HE22 GLN 84 1HE2 GLN 84 35.198 16.341 3.040 659 H LEU 85 H LEU 85 32.356 17.123 -0.484 660 HA LEU 85 HA LEU 85 31.250 17.733 2.052 661 HB2 LEU 85 1HB LEU 85 31.913 19.438 -0.336 662 HB3 LEU 85 2HB LEU 85 31.305 20.102 1.179 663 HG LEU 85 HG LEU 85 33.804 18.442 1.098 664 HD11 LEU 85 1HD1 LEU 85 33.696 21.436 0.804 665 HD12 LEU 85 2HD1 LEU 85 33.984 20.322 -0.532 666 HD13 LEU 85 3HD1 LEU 85 35.128 20.407 0.808 667 HD21 LEU 85 3HD2 LEU 85 32.587 20.433 2.989 668 HD22 LEU 85 1HD2 LEU 85 34.285 19.966 3.078 669 HD23 LEU 85 2HD2 LEU 85 33.024 18.751 3.292 670 H TYR 86 H TYR 86 29.940 17.625 -1.194 671 HA TYR 86 HA TYR 86 27.557 19.040 -0.743 672 HB2 TYR 86 1HB TYR 86 28.434 18.415 -2.985 673 HB3 TYR 86 2HB TYR 86 27.996 16.741 -2.661 674 HD1 TYR 86 HD1 TYR 86 25.548 16.190 -2.285 675 HD2 TYR 86 HD2 TYR 86 26.852 19.931 -3.836 676 HE1 TYR 86 HE1 TYR 86 23.289 16.607 -3.164 677 HE2 TYR 86 HE2 TYR 86 24.596 20.359 -4.718 678 HH TYR 86 HH TYR 86 22.561 18.697 -5.446 679 H PHE 87 H PHE 87 28.250 15.557 -0.561 680 HA PHE 87 HA PHE 87 25.639 14.799 0.218 681 HB2 PHE 87 1HB PHE 87 27.081 13.133 -0.719 682 HB3 PHE 87 2HB PHE 87 28.311 13.424 0.506 683 HD1 PHE 87 HD2 PHE 87 24.692 12.515 0.358 684 HD2 PHE 87 HD1 PHE 87 28.491 11.856 2.161 685 HE1 PHE 87 HE2 PHE 87 23.719 10.735 1.751 686 HE2 PHE 87 HE1 PHE 87 27.525 10.075 3.556 687 HZ PHE 87 HZ PHE 87 25.135 9.513 3.353 688 H SER 88 H SER 88 28.577 15.528 2.050 689 HA SER 88 HA SER 88 27.546 14.865 4.593 690 HB2 SER 88 1HB SER 88 29.524 15.722 5.460 691 HB3 SER 88 2HB SER 88 30.005 15.341 3.807 692 HG SER 88 HG SER 88 30.691 17.400 4.199 693 H ARG 89 H ARG 89 27.505 17.823 2.691 694 HA ARG 89 HA ARG 89 26.585 19.559 4.711 695 HB2 ARG 89 1HB ARG 89 26.589 19.616 1.721 696 HB3 ARG 89 2HB ARG 89 25.639 20.809 2.595 697 HG2 ARG 89 1HG ARG 89 27.487 21.848 3.468 698 HG3 ARG 89 2HG ARG 89 28.487 20.398 3.356 699 HD2 ARG 89 1HD ARG 89 29.325 21.777 1.675 700 HD3 ARG 89 2HD ARG 89 28.249 20.677 0.815 701 HE ARG 89 HE ARG 89 26.990 22.479 0.218 702 HH11 ARG 89 2HH1 ARG 89 28.868 23.324 3.025 703 HH12 ARG 89 1HH1 ARG 89 28.359 24.980 3.028 704 HH21 ARG 89 2HH2 ARG 89 26.313 24.657 0.211 705 HH22 ARG 89 1HH2 ARG 89 26.905 25.737 1.427 706 H VAL 90 H VAL 90 24.816 17.803 2.167 707 HA VAL 90 HA VAL 90 22.247 18.628 3.071 708 HB VAL 90 HB VAL 90 22.587 17.921 0.765 709 HG11 VAL 90 1HG1 VAL 90 22.966 15.122 1.815 710 HG12 VAL 90 2HG1 VAL 90 23.069 15.667 0.139 711 HG13 VAL 90 3HG1 VAL 90 24.290 16.171 1.308 712 HG21 VAL 90 3HG2 VAL 90 20.383 17.574 2.071 713 HG22 VAL 90 1HG2 VAL 90 20.565 16.811 0.492 714 HG23 VAL 90 2HG2 VAL 90 20.774 15.858 1.960 715 H PHE 91 H PHE 91 24.214 15.734 3.578 716 HA PHE 91 HA PHE 91 22.258 14.257 4.984 717 HB2 PHE 91 1HB PHE 91 24.311 13.281 3.957 718 HB3 PHE 91 2HB PHE 91 25.265 14.041 5.227 719 HD1 PHE 91 HD1 PHE 91 25.123 13.249 7.531 720 HD2 PHE 91 HD2 PHE 91 22.990 11.332 4.385 721 HE1 PHE 91 HE1 PHE 91 24.764 11.288 8.974 722 HE2 PHE 91 HE2 PHE 91 22.627 9.369 5.823 723 HZ PHE 91 HZ PHE 91 23.513 9.345 8.121 724 H LYS 92 H LYS 92 24.693 16.585 5.987 725 HA LYS 92 HA LYS 92 24.620 16.175 8.745 726 HB2 LYS 92 1HB LYS 92 26.308 17.582 7.744 727 HB3 LYS 92 2HB LYS 92 25.087 18.705 7.161 728 HG2 LYS 92 1HG LYS 92 24.590 19.434 9.372 729 HG3 LYS 92 2HG LYS 92 25.581 18.155 10.076 730 HD2 LYS 92 1HD LYS 92 27.579 19.170 9.388 731 HD3 LYS 92 2HD LYS 92 26.752 20.210 8.226 732 HE2 LYS 92 1HE LYS 92 25.956 21.634 9.881 733 HE3 LYS 92 2HE LYS 92 26.159 20.429 11.152 734 HZ1 LYS 92 3HZ LYS 92 28.381 21.787 9.725 735 HZ2 LYS 92 1HZ LYS 92 28.538 20.685 10.999 736 HZ3 LYS 92 2HZ LYS 92 27.825 22.195 11.270 737 H LYS 93 H LYS 93 22.674 18.369 6.735 738 HA LYS 93 HA LYS 93 21.088 19.265 8.950 739 HB2 LYS 93 1HB LYS 93 20.526 19.530 5.991 740 HB3 LYS 93 2HB LYS 93 19.784 20.461 7.286 741 HG2 LYS 93 1HG LYS 93 21.738 21.669 7.699 742 HG3 LYS 93 2HG LYS 93 22.745 20.508 6.831 743 HD2 LYS 93 1HD LYS 93 21.055 21.271 4.862 744 HD3 LYS 93 2HD LYS 93 21.130 22.754 5.816 745 HE2 LYS 93 1HE LYS 93 23.730 22.189 5.748 746 HE3 LYS 93 2HE LYS 93 23.248 21.377 4.259 747 HZ1 LYS 93 3HZ LYS 93 23.887 23.621 3.775 748 HZ2 LYS 93 1HZ LYS 93 22.818 24.237 4.933 749 HZ3 LYS 93 2HZ LYS 93 22.217 23.480 3.545 750 H CYS 94 H CYS 94 20.929 16.667 6.667 751 HA CYS 94 HA CYS 94 18.201 16.096 6.684 752 HB2 CYS 94 1HB CYS 94 20.682 14.543 6.168 753 HB3 CYS 94 2HB CYS 94 19.214 13.622 6.470 754 HG CYS 94 HG CYS 94 18.002 15.535 4.404 755 H THR 95 H THR 95 20.764 14.863 8.821 756 HA THR 95 HA THR 95 18.681 13.874 10.647 757 HB THR 95 HB THR 95 20.395 12.461 11.654 758 HG1 THR 95 HG1 THR 95 22.234 13.156 9.641 759 HG21 THR 95 3HG2 THR 95 20.543 12.181 8.655 760 HG22 THR 95 1HG2 THR 95 19.139 11.708 9.611 761 HG23 THR 95 2HG2 THR 95 20.689 10.905 9.864 762 H GLY 96 H GLY 96 20.844 16.403 10.224 763 HA2 GLY 96 1HA GLY 96 20.930 18.262 11.689 764 HA3 GLY 96 2HA GLY 96 20.491 17.202 13.019 765 H ALA 97 H ALA 97 22.699 15.411 11.579 766 HA ALA 97 HA ALA 97 25.036 16.792 12.692 767 HB1 ALA 97 1HB ALA 97 24.775 13.880 13.238 768 HB2 ALA 97 2HB ALA 97 25.625 15.130 14.147 769 HB3 ALA 97 3HB ALA 97 23.869 15.010 14.245 770 H SER 98 H SER 98 27.029 16.177 11.798 771 HA SER 98 HA SER 98 26.953 15.432 9.077 772 HB2 SER 98 1HB SER 98 29.577 15.084 9.766 773 HB3 SER 98 2HB SER 98 28.850 16.636 9.350 774 HG SER 98 HG SER 98 29.391 17.208 11.290 775 HA PRO 99 HA PRO 99 27.310 11.061 9.050 776 HB2 PRO 99 1HB PRO 99 29.144 10.615 7.098 777 HB3 PRO 99 2HB PRO 99 27.501 11.176 6.764 778 HG2 PRO 99 1HG PRO 99 30.044 12.748 6.923 779 HG3 PRO 99 2HG PRO 99 28.724 12.872 5.746 780 HD2 PRO 99 1HD PRO 99 28.991 14.591 7.820 781 HD3 PRO 99 2HD PRO 99 27.409 14.127 7.162 782 H SER 100 H SER 100 30.355 12.831 9.250 783 HA SER 100 HA SER 100 31.966 10.636 10.030 784 HB2 SER 100 1HB SER 100 33.153 12.491 9.211 785 HB3 SER 100 2HB SER 100 32.273 13.623 10.237 786 HG SER 100 HG SER 100 33.436 12.968 11.973 787 H GLU 101 H GLU 101 29.969 12.915 11.793 788 HA GLU 101 HA GLU 101 30.941 12.181 14.381 789 HB2 GLU 101 1HB GLU 101 29.856 14.376 13.826 790 HB3 GLU 101 2HB GLU 101 28.324 13.524 13.698 791 HG2 GLU 101 1HG GLU 101 28.084 14.079 15.845 792 HG3 GLU 101 2HG GLU 101 29.161 12.716 16.144 793 H PHE 102 H PHE 102 28.012 11.415 12.522 794 HA PHE 102 HA PHE 102 26.811 9.762 14.445 795 HB2 PHE 102 1HB PHE 102 25.911 10.748 12.173 796 HB3 PHE 102 2HB PHE 102 26.461 9.205 11.527 797 HD1 PHE 102 HD2 PHE 102 25.527 7.084 12.496 798 HD2 PHE 102 HD1 PHE 102 23.899 10.921 13.360 799 HE1 PHE 102 HE2 PHE 102 23.439 6.024 13.250 800 HE2 PHE 102 HE1 PHE 102 21.808 9.867 14.116 801 HZ PHE 102 HZ PHE 102 21.576 7.416 14.060 802 H ARG 103 H ARG 103 28.974 8.992 11.742 803 HA ARG 103 HA ARG 103 28.961 6.189 12.169 804 HB2 ARG 103 1HB ARG 103 30.707 6.082 10.564 805 HB3 ARG 103 2HB ARG 103 29.651 7.392 10.053 806 HG2 ARG 103 1HG ARG 103 31.213 9.008 11.067 807 HG3 ARG 103 2HG ARG 103 32.289 7.670 11.475 808 HD2 ARG 103 1HD ARG 103 32.237 7.098 8.988 809 HD3 ARG 103 2HD ARG 103 31.517 8.691 8.757 810 HE ARG 103 HE ARG 103 33.734 9.230 10.202 811 HH11 ARG 103 2HH1 ARG 103 33.176 7.425 7.278 812 HH12 ARG 103 1HH1 ARG 103 34.740 7.766 6.614 813 HH21 ARG 103 2HH2 ARG 103 35.796 9.686 9.339 814 HH22 ARG 103 1HH2 ARG 103 36.230 9.051 7.788 815 H ALA 104 H ALA 104 30.865 8.824 13.460 816 HA ALA 104 HA ALA 104 32.996 7.345 14.537 817 HB1 ALA 104 1HB ALA 104 31.777 9.985 15.295 818 HB2 ALA 104 2HB ALA 104 33.175 9.313 16.135 819 HB3 ALA 104 3HB ALA 104 33.273 9.677 14.413 820 H GLY 105 H GLY 105 29.775 8.062 15.768 821 HA2 GLY 105 1HA GLY 105 28.586 6.788 17.326 822 HA3 GLY 105 2HA GLY 105 30.069 5.932 17.723 823 H CYS 106 H CYS 106 31.112 8.940 17.843 824 HA CYS 106 HA CYS 106 31.080 9.062 20.685 825 HB2 CYS 106 1HB CYS 106 32.328 11.133 20.426 826 HB3 CYS 106 2HB CYS 106 32.952 9.921 19.314 827 HG CYS 106 HG CYS 106 31.688 12.913 18.674 828 H GLU 107 H GLU 107 29.891 10.290 22.063 829 HA GLU 107 HA GLU 107 27.322 11.116 21.293 830 HB2 GLU 107 1HB GLU 107 27.241 12.181 23.564 831 HB3 GLU 107 2HB GLU 107 27.702 10.485 23.566 832 HG2 GLU 107 1HG GLU 107 29.916 10.955 24.084 833 HG3 GLU 107 2HG GLU 107 29.781 12.634 23.563 Start of MODEL 10 1 H1 MET 1 H MET 1 0.746 -2.429 -0.032 2 HA MET 1 HA MET 1 1.423 0.056 -1.464 3 HB2 MET 1 1HB MET 1 3.337 -1.323 -0.494 4 HB3 MET 1 2HB MET 1 2.933 -2.543 -1.693 5 HG2 MET 1 1HG MET 1 3.581 -1.198 -3.468 6 HG3 MET 1 2HG MET 1 3.472 0.279 -2.513 7 HE1 MET 1 3HE MET 1 6.736 0.783 -3.344 8 HE2 MET 1 1HE MET 1 5.187 1.401 -2.770 9 HE3 MET 1 2HE MET 1 6.537 1.229 -1.649 10 H ASP 2 H ASP 2 1.443 -0.051 -3.788 11 HA ASP 2 HA ASP 2 -0.546 -1.956 -4.808 12 HB2 ASP 2 1HB ASP 2 -0.393 0.799 -5.045 13 HB3 ASP 2 2HB ASP 2 0.198 0.224 -6.602 14 H ASN 3 H ASN 3 -0.211 -3.076 -6.746 15 HA ASN 3 HA ASN 3 2.419 -4.001 -7.176 16 HB2 ASN 3 1HB ASN 3 -0.066 -4.300 -8.875 17 HB3 ASN 3 2HB ASN 3 1.434 -5.183 -9.140 18 HD21 ASN 3 2HD2 ASN 3 -1.394 -5.920 -8.322 19 HD22 ASN 3 1HD2 ASN 3 -1.173 -6.943 -6.947 20 H ARG 4 H ARG 4 0.532 -1.467 -8.639 21 HA ARG 4 HA ARG 4 2.126 -1.148 -10.975 22 HB2 ARG 4 1HB ARG 4 0.215 0.721 -9.569 23 HB3 ARG 4 2HB ARG 4 0.995 1.097 -11.100 24 HG2 ARG 4 1HG ARG 4 -0.794 -1.279 -10.634 25 HG3 ARG 4 2HG ARG 4 -1.315 0.253 -11.339 26 HD2 ARG 4 1HD ARG 4 0.404 -0.061 -13.116 27 HD3 ARG 4 2HD ARG 4 0.732 -1.660 -12.449 28 HE ARG 4 HE ARG 4 -1.527 -0.875 -14.049 29 HH11 ARG 4 2HH1 ARG 4 -0.306 -3.164 -11.728 30 HH12 ARG 4 1HH1 ARG 4 -1.418 -4.413 -12.179 31 HH21 ARG 4 2HH2 ARG 4 -2.997 -2.512 -14.653 32 HH22 ARG 4 1HH2 ARG 4 -2.947 -4.042 -13.844 33 H VAL 5 H VAL 5 1.989 0.604 -7.880 34 HA VAL 5 HA VAL 5 4.150 2.344 -8.492 35 HB VAL 5 HB VAL 5 4.157 2.861 -6.070 36 HG11 VAL 5 1HG1 VAL 5 1.290 2.936 -6.541 37 HG12 VAL 5 2HG1 VAL 5 2.449 4.259 -6.401 38 HG13 VAL 5 3HG1 VAL 5 2.223 3.443 -7.949 39 HG21 VAL 5 3HG2 VAL 5 2.095 0.666 -5.954 40 HG22 VAL 5 1HG2 VAL 5 3.657 0.710 -5.137 41 HG23 VAL 5 2HG2 VAL 5 2.380 1.829 -4.660 42 H ARG 6 H ARG 6 3.902 -0.757 -6.835 43 HA ARG 6 HA ARG 6 6.427 -0.906 -5.697 44 HB2 ARG 6 1HB ARG 6 4.472 -2.537 -5.477 45 HB3 ARG 6 2HB ARG 6 5.046 -3.260 -6.974 46 HG2 ARG 6 1HG ARG 6 6.891 -4.168 -5.996 47 HG3 ARG 6 2HG ARG 6 6.999 -2.903 -4.769 48 HD2 ARG 6 1HD ARG 6 5.028 -3.848 -3.646 49 HD3 ARG 6 2HD ARG 6 4.960 -5.125 -4.860 50 HE ARG 6 HE ARG 6 6.688 -5.005 -2.593 51 HH11 ARG 6 2HH1 ARG 6 6.428 -6.154 -5.869 52 HH12 ARG 6 1HH1 ARG 6 7.563 -7.444 -5.644 53 HH21 ARG 6 2HH2 ARG 6 8.184 -6.699 -2.285 54 HH22 ARG 6 1HH2 ARG 6 8.560 -7.753 -3.605 55 H GLU 7 H GLU 7 5.395 -1.818 -8.969 56 HA GLU 7 HA GLU 7 7.914 -2.772 -9.821 57 HB2 GLU 7 1HB GLU 7 5.480 -2.948 -10.872 58 HB3 GLU 7 2HB GLU 7 6.031 -1.548 -11.782 59 HG2 GLU 7 1HG GLU 7 6.538 -3.363 -13.144 60 HG3 GLU 7 2HG GLU 7 8.072 -2.950 -12.380 61 H ALA 8 H ALA 8 6.357 0.396 -10.029 62 HA ALA 8 HA ALA 8 8.236 1.682 -11.647 63 HB1 ALA 8 1HB ALA 8 6.334 2.929 -11.380 64 HB2 ALA 8 2HB ALA 8 6.226 2.598 -9.651 65 HB3 ALA 8 3HB ALA 8 7.414 3.753 -10.255 66 H CYS 9 H CYS 9 8.209 1.075 -8.180 67 HA CYS 9 HA CYS 9 10.312 2.767 -7.435 68 HB2 CYS 9 1HB CYS 9 9.447 0.127 -6.237 69 HB3 CYS 9 2HB CYS 9 10.550 1.262 -5.468 70 HG CYS 9 HG CYS 9 8.339 1.810 -4.092 71 H GLN 10 H GLN 10 10.304 -0.475 -8.786 72 HA GLN 10 HA GLN 10 13.019 -1.084 -8.331 73 HB2 GLN 10 1HB GLN 10 11.060 -2.612 -9.094 74 HB3 GLN 10 2HB GLN 10 11.505 -2.098 -10.716 75 HG2 GLN 10 1HG GLN 10 12.554 -4.200 -10.208 76 HG3 GLN 10 2HG GLN 10 13.779 -2.939 -10.342 77 HE21 GLN 10 2HE2 GLN 10 11.614 -3.961 -7.724 78 HE22 GLN 10 1HE2 GLN 10 12.863 -4.214 -6.558 79 H TYR 11 H TYR 11 11.355 0.441 -11.059 80 HA TYR 11 HA TYR 11 13.661 0.661 -12.700 81 HB2 TYR 11 1HB TYR 11 11.529 0.764 -13.765 82 HB3 TYR 11 2HB TYR 11 10.996 2.078 -12.723 83 HD1 TYR 11 HD1 TYR 11 13.509 1.255 -15.346 84 HD2 TYR 11 HD2 TYR 11 11.225 4.289 -13.428 85 HE1 TYR 11 HE1 TYR 11 14.276 2.883 -17.023 86 HE2 TYR 11 HE2 TYR 11 11.984 5.925 -15.100 87 HH TYR 11 HH TYR 11 13.763 6.261 -16.671 88 H ILE 12 H ILE 12 11.973 2.976 -10.595 89 HA ILE 12 HA ILE 12 13.668 5.162 -11.061 90 HB ILE 12 HB ILE 12 12.085 4.525 -8.569 91 HG12 ILE 12 1HG1 ILE 12 11.339 6.321 -10.881 92 HG13 ILE 12 2HG1 ILE 12 10.803 4.651 -10.739 93 HG21 ILE 12 1HG2 ILE 12 13.571 6.954 -9.474 94 HG22 ILE 12 2HG2 ILE 12 12.141 7.120 -8.458 95 HG23 ILE 12 3HG2 ILE 12 13.528 6.195 -7.883 96 HD11 ILE 12 3HD1 ILE 12 9.053 5.420 -9.628 97 HD12 ILE 12 1HD1 ILE 12 10.150 5.801 -8.302 98 HD13 ILE 12 2HD1 ILE 12 9.758 7.031 -9.504 99 H SER 13 H SER 13 13.764 2.637 -8.572 100 HA SER 13 HA SER 13 15.902 3.617 -7.077 101 HB2 SER 13 1HB SER 13 14.434 1.717 -6.405 102 HB3 SER 13 2HB SER 13 15.254 0.705 -7.594 103 HG SER 13 HG SER 13 16.113 1.590 -5.122 104 H ASP 14 H ASP 14 15.858 1.721 -10.037 105 HA ASP 14 HA ASP 14 18.623 1.106 -10.089 106 HB2 ASP 14 1HB ASP 14 16.554 0.200 -11.501 107 HB3 ASP 14 2HB ASP 14 17.118 1.419 -12.641 108 H HIS 15 H HIS 15 16.814 3.937 -10.880 109 HA HIS 15 HA HIS 15 19.028 5.108 -12.380 110 HB2 HIS 15 1HB HIS 15 16.183 5.927 -11.865 111 HB3 HIS 15 2HB HIS 15 17.356 7.095 -12.466 112 HD1 HIS 15 HD1 HIS 15 16.876 7.379 -14.874 113 HD2 HIS 15 HD2 HIS 15 16.703 3.391 -13.724 114 HE1 HIS 15 HE1 HIS 15 16.475 6.086 -16.993 115 H LEU 16 H LEU 16 18.903 4.529 -9.371 116 HA LEU 16 HA LEU 16 18.809 6.912 -7.926 117 HB2 LEU 16 1HB LEU 16 18.852 4.738 -6.857 118 HB3 LEU 16 2HB LEU 16 20.483 4.449 -7.458 119 HG LEU 16 HG LEU 16 20.237 6.861 -5.817 120 HD11 LEU 16 1HD1 LEU 16 18.678 5.704 -4.510 121 HD12 LEU 16 2HD1 LEU 16 20.224 5.429 -3.707 122 HD13 LEU 16 3HD1 LEU 16 19.516 4.165 -4.713 123 HD21 LEU 16 3HD2 LEU 16 22.394 6.418 -5.496 124 HD22 LEU 16 1HD2 LEU 16 22.215 5.102 -6.656 125 HD23 LEU 16 2HD2 LEU 16 22.045 4.784 -4.930 126 H ALA 17 H ALA 17 21.442 5.436 -9.745 127 HA ALA 17 HA ALA 17 23.301 7.528 -8.967 128 HB1 ALA 17 1HB ALA 17 23.757 4.967 -9.466 129 HB2 ALA 17 2HB ALA 17 23.971 5.582 -11.106 130 HB3 ALA 17 3HB ALA 17 24.966 6.210 -9.792 131 H ASP 18 H ASP 18 21.085 6.855 -11.502 132 HA ASP 18 HA ASP 18 22.355 8.528 -13.472 133 HB2 ASP 18 1HB ASP 18 20.711 6.512 -13.814 134 HB3 ASP 18 2HB ASP 18 19.467 7.741 -13.604 135 H SER 19 H SER 19 21.468 10.496 -14.306 136 HA SER 19 HA SER 19 20.205 12.103 -12.206 137 HB2 SER 19 1HB SER 19 22.215 13.118 -12.941 138 HB3 SER 19 2HB SER 19 21.842 12.816 -14.638 139 HG SER 19 HG SER 19 21.433 14.973 -14.149 140 H ASN 20 H ASN 20 19.885 11.255 -15.623 141 HA ASN 20 HA ASN 20 17.675 12.870 -16.223 142 HB2 ASN 20 1HB ASN 20 18.618 10.250 -17.391 143 HB3 ASN 20 2HB ASN 20 17.259 11.155 -18.050 144 HD21 ASN 20 2HD2 ASN 20 17.759 13.496 -18.520 145 HD22 ASN 20 1HD2 ASN 20 19.282 13.825 -19.266 146 H PHE 21 H PHE 21 15.942 12.865 -14.909 147 HA PHE 21 HA PHE 21 14.664 10.268 -14.356 148 HB2 PHE 21 1HB PHE 21 15.518 11.400 -12.322 149 HB3 PHE 21 2HB PHE 21 14.500 12.788 -12.691 150 HD1 PHE 21 HD2 PHE 21 13.747 9.151 -12.879 151 HD2 PHE 21 HD1 PHE 21 12.926 12.881 -11.001 152 HE1 PHE 21 HE2 PHE 21 11.893 8.114 -11.638 153 HE2 PHE 21 HE1 PHE 21 11.071 11.850 -9.756 154 HZ PHE 21 HZ PHE 21 10.551 9.464 -10.075 155 H ASP 22 H ASP 22 12.991 10.016 -15.679 156 HA ASP 22 HA ASP 22 11.270 12.347 -16.220 157 HB2 ASP 22 1HB ASP 22 12.323 11.603 -18.263 158 HB3 ASP 22 2HB ASP 22 11.850 9.936 -17.949 159 H ILE 23 H ILE 23 9.602 12.205 -14.850 160 HA ILE 23 HA ILE 23 8.580 9.916 -13.660 161 HB ILE 23 HB ILE 23 8.070 12.250 -12.953 162 HG12 ILE 23 1HG1 ILE 23 5.434 10.915 -13.386 163 HG13 ILE 23 2HG1 ILE 23 6.668 10.053 -12.475 164 HG21 ILE 23 1HG2 ILE 23 6.002 12.222 -15.139 165 HG22 ILE 23 2HG2 ILE 23 6.398 13.544 -14.042 166 HG23 ILE 23 3HG2 ILE 23 7.555 13.046 -15.276 167 HD11 ILE 23 3HD1 ILE 23 6.763 11.790 -10.841 168 HD12 ILE 23 1HD1 ILE 23 5.706 12.821 -11.804 169 HD13 ILE 23 2HD1 ILE 23 5.074 11.341 -11.081 170 H ALA 24 H ALA 24 8.011 11.221 -16.828 171 HA ALA 24 HA ALA 24 5.587 9.905 -17.420 172 HB1 ALA 24 1HB ALA 24 6.295 11.727 -18.793 173 HB2 ALA 24 2HB ALA 24 7.791 10.895 -19.218 174 HB3 ALA 24 3HB ALA 24 6.244 10.279 -19.798 175 H SER 25 H SER 25 8.973 8.966 -17.861 176 HA SER 25 HA SER 25 8.494 6.581 -19.274 177 HB2 SER 25 1HB SER 25 10.815 7.115 -17.409 178 HB3 SER 25 2HB SER 25 10.779 6.006 -18.781 179 HG SER 25 HG SER 25 11.767 7.845 -19.490 180 H VAL 26 H VAL 26 8.500 7.337 -15.855 181 HA VAL 26 HA VAL 26 8.518 4.653 -14.917 182 HB VAL 26 HB VAL 26 7.476 7.129 -13.534 183 HG11 VAL 26 1HG1 VAL 26 7.816 5.871 -11.470 184 HG12 VAL 26 2HG1 VAL 26 6.664 5.053 -12.528 185 HG13 VAL 26 3HG1 VAL 26 8.322 4.463 -12.404 186 HG21 VAL 26 3HG2 VAL 26 9.586 7.774 -13.282 187 HG22 VAL 26 1HG2 VAL 26 9.985 6.228 -12.532 188 HG23 VAL 26 2HG2 VAL 26 10.113 6.419 -14.281 189 H ALA 27 H ALA 27 5.971 6.941 -15.751 190 HA ALA 27 HA ALA 27 3.805 5.412 -14.758 191 HB1 ALA 27 1HB ALA 27 3.972 7.920 -15.563 192 HB2 ALA 27 2HB ALA 27 3.413 7.221 -17.083 193 HB3 ALA 27 3HB ALA 27 2.449 7.033 -15.619 194 H GLN 28 H GLN 28 5.180 5.749 -18.023 195 HA GLN 28 HA GLN 28 3.411 3.992 -19.310 196 HB2 GLN 28 1HB GLN 28 5.143 3.863 -21.076 197 HB3 GLN 28 2HB GLN 28 4.797 5.514 -20.580 198 HG2 GLN 28 1HG GLN 28 6.808 5.513 -19.187 199 HG3 GLN 28 2HG GLN 28 7.158 3.865 -19.706 200 HE21 GLN 28 2HE2 GLN 28 6.576 7.115 -20.979 201 HE22 GLN 28 1HE2 GLN 28 7.675 6.983 -22.305 202 H HIS 29 H HIS 29 6.438 3.435 -17.602 203 HA HIS 29 HA HIS 29 6.905 0.791 -18.364 204 HB2 HIS 29 1HB HIS 29 8.625 1.947 -17.193 205 HB3 HIS 29 2HB HIS 29 7.564 2.291 -15.830 206 HD1 HIS 29 HD1 HIS 29 8.013 -1.112 -17.411 207 HD2 HIS 29 HD2 HIS 29 8.935 0.908 -13.899 208 HE1 HIS 29 HE1 HIS 29 8.920 -2.861 -15.847 209 H VAL 30 H VAL 30 4.754 2.136 -15.939 210 HA VAL 30 HA VAL 30 3.969 -0.549 -15.073 211 HB VAL 30 HB VAL 30 2.686 0.578 -13.313 212 HG11 VAL 30 1HG1 VAL 30 4.695 1.743 -12.204 213 HG12 VAL 30 2HG1 VAL 30 4.844 0.035 -12.620 214 HG13 VAL 30 3HG1 VAL 30 5.586 1.261 -13.647 215 HG21 VAL 30 3HG2 VAL 30 3.829 3.164 -14.356 216 HG22 VAL 30 1HG2 VAL 30 2.182 2.618 -14.674 217 HG23 VAL 30 2HG2 VAL 30 2.698 2.948 -13.020 218 H CYS 31 H CYS 31 3.259 0.953 -17.673 219 HA CYS 31 HA CYS 31 1.466 1.217 -19.054 220 HB2 CYS 31 1HB CYS 31 0.371 -1.014 -17.328 221 HB3 CYS 31 2HB CYS 31 -0.258 -0.544 -18.902 222 HG CYS 31 HG CYS 31 1.172 -2.913 -19.213 223 H LEU 32 H LEU 32 1.528 3.005 -16.873 224 HA LEU 32 HA LEU 32 -1.328 3.606 -16.665 225 HB2 LEU 32 1HB LEU 32 0.188 2.624 -14.526 226 HB3 LEU 32 2HB LEU 32 0.026 4.354 -14.236 227 HG LEU 32 HG LEU 32 -2.463 2.931 -14.935 228 HD11 LEU 32 1HD1 LEU 32 -1.645 1.225 -13.542 229 HD12 LEU 32 2HD1 LEU 32 -2.677 2.214 -12.509 230 HD13 LEU 32 3HD1 LEU 32 -0.923 2.375 -12.416 231 HD21 LEU 32 3HD2 LEU 32 -3.280 4.814 -14.097 232 HD22 LEU 32 1HD2 LEU 32 -1.645 5.360 -13.726 233 HD23 LEU 32 2HD2 LEU 32 -2.561 4.443 -12.530 234 H SER 33 H SER 33 -1.722 5.867 -15.977 235 HA SER 33 HA SER 33 0.088 7.629 -17.372 236 HB2 SER 33 1HB SER 33 -2.651 7.847 -16.218 237 HB3 SER 33 2HB SER 33 -1.727 9.336 -16.413 238 HG SER 33 HG SER 33 -1.521 8.871 -18.608 239 HA PRO 34 HA PRO 34 2.311 9.322 -13.991 240 HB2 PRO 34 1HB PRO 34 2.432 11.957 -14.630 241 HB3 PRO 34 2HB PRO 34 3.348 10.717 -15.494 242 HG2 PRO 34 1HG PRO 34 0.769 12.037 -16.248 243 HG3 PRO 34 2HG PRO 34 2.172 11.659 -17.265 244 HD2 PRO 34 1HD PRO 34 -0.061 10.127 -17.235 245 HD3 PRO 34 2HD PRO 34 1.557 9.451 -17.511 246 H SER 35 H SER 35 -0.623 11.131 -14.836 247 HA SER 35 HA SER 35 -0.863 12.530 -12.401 248 HB2 SER 35 1HB SER 35 -2.961 11.739 -14.432 249 HB3 SER 35 2HB SER 35 -3.249 12.846 -13.090 250 HG SER 35 HG SER 35 -2.392 13.510 -15.422 251 H ARG 36 H ARG 36 -2.314 9.489 -13.522 252 HA ARG 36 HA ARG 36 -3.725 9.012 -11.089 253 HB2 ARG 36 1HB ARG 36 -4.461 8.047 -13.220 254 HB3 ARG 36 2HB ARG 36 -2.976 7.109 -13.317 255 HG2 ARG 36 1HG ARG 36 -4.777 5.701 -12.576 256 HG3 ARG 36 2HG ARG 36 -3.624 5.921 -11.258 257 HD2 ARG 36 1HD ARG 36 -5.050 7.363 -10.097 258 HD3 ARG 36 2HD ARG 36 -6.038 7.679 -11.523 259 HE ARG 36 HE ARG 36 -6.395 5.034 -11.111 260 HH11 ARG 36 2HH1 ARG 36 -6.659 7.823 -9.043 261 HH12 ARG 36 1HH1 ARG 36 -7.890 7.126 -8.042 262 HH21 ARG 36 2HH2 ARG 36 -8.015 4.106 -9.800 263 HH22 ARG 36 1HH2 ARG 36 -8.660 5.012 -8.473 264 H LEU 37 H LEU 37 -0.696 7.785 -12.467 265 HA LEU 37 HA LEU 37 -0.085 5.961 -10.424 266 HB2 LEU 37 1HB LEU 37 1.065 5.872 -12.524 267 HB3 LEU 37 2HB LEU 37 1.693 7.504 -12.303 268 HG LEU 37 HG LEU 37 2.885 6.482 -10.229 269 HD11 LEU 37 1HD1 LEU 37 1.835 4.108 -11.636 270 HD12 LEU 37 2HD1 LEU 37 2.218 4.344 -9.931 271 HD13 LEU 37 3HD1 LEU 37 3.510 4.027 -11.089 272 HD21 LEU 37 3HD2 LEU 37 3.572 6.762 -12.989 273 HD22 LEU 37 1HD2 LEU 37 4.400 5.356 -12.319 274 HD23 LEU 37 2HD2 LEU 37 4.597 6.938 -11.564 275 H SER 38 H SER 38 0.779 9.375 -10.834 276 HA SER 38 HA SER 38 2.444 9.616 -8.597 277 HB2 SER 38 1HB SER 38 2.051 12.026 -8.773 278 HB3 SER 38 2HB SER 38 2.279 11.325 -10.375 279 HG SER 38 HG SER 38 0.433 12.841 -10.010 280 H HIS 39 H HIS 39 -1.055 9.900 -8.929 281 HA HIS 39 HA HIS 39 -1.639 10.905 -6.384 282 HB2 HIS 39 1HB HIS 39 -3.269 10.772 -8.247 283 HB3 HIS 39 2HB HIS 39 -3.323 9.023 -8.051 284 HD1 HIS 39 HD1 HIS 39 -4.847 12.109 -6.853 285 HD2 HIS 39 HD2 HIS 39 -4.438 8.210 -5.478 286 HE1 HIS 39 HE1 HIS 39 -6.561 11.855 -5.030 287 H LEU 40 H LEU 40 -1.474 7.541 -7.524 288 HA LEU 40 HA LEU 40 -2.022 6.415 -4.967 289 HB2 LEU 40 1HB LEU 40 -0.671 5.128 -7.333 290 HB3 LEU 40 2HB LEU 40 -1.418 4.298 -5.970 291 HG LEU 40 HG LEU 40 -2.874 5.947 -8.037 292 HD11 LEU 40 1HD1 LEU 40 -2.966 4.121 -9.287 293 HD12 LEU 40 2HD1 LEU 40 -3.656 3.211 -7.944 294 HD13 LEU 40 3HD1 LEU 40 -1.906 3.295 -8.144 295 HD21 LEU 40 3HD2 LEU 40 -4.888 5.264 -6.983 296 HD22 LEU 40 1HD2 LEU 40 -3.846 5.913 -5.717 297 HD23 LEU 40 2HD2 LEU 40 -4.029 4.168 -5.900 298 H PHE 41 H PHE 41 0.883 7.362 -6.664 299 HA PHE 41 HA PHE 41 2.740 5.989 -5.030 300 HB2 PHE 41 1HB PHE 41 2.885 7.528 -7.322 301 HB3 PHE 41 2HB PHE 41 3.703 8.524 -6.122 302 HD1 PHE 41 HD2 PHE 41 5.728 7.714 -5.009 303 HD2 PHE 41 HD1 PHE 41 3.832 5.479 -8.096 304 HE1 PHE 41 HE2 PHE 41 7.762 6.355 -5.271 305 HE2 PHE 41 HE1 PHE 41 5.863 4.116 -8.362 306 HZ PHE 41 HZ PHE 41 7.832 4.555 -6.949 307 H ARG 42 H ARG 42 1.646 9.379 -5.006 308 HA ARG 42 HA ARG 42 3.079 10.048 -2.642 309 HB2 ARG 42 1HB ARG 42 1.887 11.503 -4.590 310 HB3 ARG 42 2HB ARG 42 0.677 11.631 -3.320 311 HG2 ARG 42 1HG ARG 42 3.057 12.126 -2.009 312 HG3 ARG 42 2HG ARG 42 3.252 12.928 -3.569 313 HD2 ARG 42 1HD ARG 42 0.668 13.292 -2.165 314 HD3 ARG 42 2HD ARG 42 2.078 14.098 -1.478 315 HE ARG 42 HE ARG 42 1.992 14.610 -4.235 316 HH11 ARG 42 2HH1 ARG 42 0.254 15.375 -1.317 317 HH12 ARG 42 1HH1 ARG 42 -0.310 16.906 -1.899 318 HH21 ARG 42 2HH2 ARG 42 1.255 16.624 -5.012 319 HH22 ARG 42 1HH2 ARG 42 0.259 17.615 -4.002 320 H GLN 43 H GLN 43 -0.042 8.669 -3.278 321 HA GLN 43 HA GLN 43 -1.122 9.212 -0.672 322 HB2 GLN 43 1HB GLN 43 -2.557 8.926 -2.667 323 HB3 GLN 43 2HB GLN 43 -2.052 7.245 -2.771 324 HG2 GLN 43 1HG GLN 43 -4.191 7.302 -1.745 325 HG3 GLN 43 2HG GLN 43 -3.011 6.887 -0.503 326 HE21 GLN 43 2HE2 GLN 43 -4.039 9.968 -1.927 327 HE22 GLN 43 1HE2 GLN 43 -4.467 10.714 -0.430 328 H GLN 44 H GLN 44 0.367 6.440 -2.285 329 HA GLN 44 HA GLN 44 0.067 4.737 0.019 330 HB2 GLN 44 1HB GLN 44 1.601 4.384 -2.560 331 HB3 GLN 44 2HB GLN 44 1.468 3.150 -1.314 332 HG2 GLN 44 1HG GLN 44 -1.034 4.324 -2.397 333 HG3 GLN 44 2HG GLN 44 -0.131 3.194 -3.405 334 HE21 GLN 44 2HE2 GLN 44 -2.076 1.891 -3.194 335 HE22 GLN 44 1HE2 GLN 44 -2.259 0.875 -1.809 336 H LEU 45 H LEU 45 2.649 6.608 -1.486 337 HA LEU 45 HA LEU 45 4.576 5.732 0.505 338 HB2 LEU 45 1HB LEU 45 4.866 7.751 -1.715 339 HB3 LEU 45 2HB LEU 45 6.170 7.098 -0.726 340 HG LEU 45 HG LEU 45 4.744 5.900 -3.032 341 HD11 LEU 45 1HD1 LEU 45 7.023 6.800 -3.201 342 HD12 LEU 45 2HD1 LEU 45 6.963 5.069 -3.535 343 HD13 LEU 45 3HD1 LEU 45 7.557 5.647 -1.978 344 HD21 LEU 45 3HD2 LEU 45 5.588 4.373 -0.593 345 HD22 LEU 45 1HD2 LEU 45 5.614 3.634 -2.194 346 HD23 LEU 45 2HD2 LEU 45 4.098 4.240 -1.528 347 H GLY 46 H GLY 46 2.300 8.227 0.092 348 HA2 GLY 46 1HA GLY 46 1.751 10.019 1.421 349 HA3 GLY 46 2HA GLY 46 2.863 9.373 2.618 350 H ILE 47 H ILE 47 4.366 9.840 -0.362 351 HA ILE 47 HA ILE 47 5.092 12.611 0.137 352 HB ILE 47 HB ILE 47 7.479 12.207 0.189 353 HG12 ILE 47 1HG1 ILE 47 6.762 9.267 0.166 354 HG13 ILE 47 2HG1 ILE 47 7.520 10.149 -1.155 355 HG21 ILE 47 1HG2 ILE 47 6.295 12.284 2.316 356 HG22 ILE 47 2HG2 ILE 47 6.028 10.543 2.242 357 HG23 ILE 47 3HG2 ILE 47 7.665 11.178 2.402 358 HD11 ILE 47 3HD1 ILE 47 8.713 9.692 1.569 359 HD12 ILE 47 1HD1 ILE 47 9.138 8.830 0.091 360 HD13 ILE 47 2HD1 ILE 47 9.477 10.555 0.235 361 H SER 48 H SER 48 6.610 13.422 -1.590 362 HA SER 48 HA SER 48 5.588 12.619 -4.150 363 HB2 SER 48 1HB SER 48 6.312 15.004 -3.266 364 HB3 SER 48 2HB SER 48 7.888 14.513 -3.886 365 HG SER 48 HG SER 48 5.517 15.047 -5.254 366 H VAL 49 H VAL 49 6.957 12.099 -5.996 367 HA VAL 49 HA VAL 49 8.558 9.874 -5.598 368 HB VAL 49 HB VAL 49 9.404 10.276 -7.926 369 HG11 VAL 49 1HG1 VAL 49 7.351 9.736 -8.963 370 HG12 VAL 49 2HG1 VAL 49 7.244 9.103 -7.319 371 HG13 VAL 49 3HG1 VAL 49 6.420 10.605 -7.743 372 HG21 VAL 49 3HG2 VAL 49 9.468 12.656 -8.022 373 HG22 VAL 49 1HG2 VAL 49 8.254 12.120 -9.184 374 HG23 VAL 49 2HG2 VAL 49 7.754 12.779 -7.626 375 H LEU 50 H LEU 50 9.496 13.265 -5.957 376 HA LEU 50 HA LEU 50 12.276 12.872 -6.050 377 HB2 LEU 50 1HB LEU 50 10.773 14.992 -6.439 378 HB3 LEU 50 2HB LEU 50 11.113 15.282 -4.734 379 HG LEU 50 HG LEU 50 13.538 15.258 -5.265 380 HD11 LEU 50 1HD1 LEU 50 12.697 14.116 -7.656 381 HD12 LEU 50 2HD1 LEU 50 14.329 14.642 -7.247 382 HD13 LEU 50 3HD1 LEU 50 13.238 15.736 -8.096 383 HD21 LEU 50 3HD2 LEU 50 13.406 17.424 -6.689 384 HD22 LEU 50 1HD2 LEU 50 12.699 17.403 -5.073 385 HD23 LEU 50 2HD2 LEU 50 11.663 17.239 -6.491 386 H SER 51 H SER 51 10.022 13.088 -3.376 387 HA SER 51 HA SER 51 12.006 13.340 -1.340 388 HB2 SER 51 1HB SER 51 9.067 12.762 -1.381 389 HB3 SER 51 2HB SER 51 9.980 12.486 0.102 390 HG SER 51 HG SER 51 10.032 14.928 -1.336 391 H TRP 52 H TRP 52 10.056 10.626 -2.547 392 HA TRP 52 HA TRP 52 11.164 8.684 -0.820 393 HB2 TRP 52 1HB TRP 52 9.049 8.279 -1.929 394 HB3 TRP 52 2HB TRP 52 9.814 8.393 -3.511 395 HD1 TRP 52 HD1 TRP 52 9.771 6.084 -0.412 396 HE1 TRP 52 HE1 TRP 52 10.386 3.705 -1.179 397 HE3 TRP 52 HE3 TRP 52 10.866 7.067 -5.308 398 HZ2 TRP 52 HZ2 TRP 52 11.225 2.416 -3.546 399 HZ3 TRP 52 HZ3 TRP 52 11.568 5.206 -6.756 400 HH2 TRP 52 HH2 TRP 52 11.744 2.929 -5.891 401 H ARG 53 H ARG 53 11.954 9.649 -4.140 402 HA ARG 53 HA ARG 53 13.904 7.724 -4.665 403 HB2 ARG 53 1HB ARG 53 12.898 9.306 -6.329 404 HB3 ARG 53 2HB ARG 53 13.909 10.578 -5.655 405 HG2 ARG 53 1HG ARG 53 15.873 9.003 -6.187 406 HG3 ARG 53 2HG ARG 53 14.718 8.165 -7.226 407 HD2 ARG 53 1HD ARG 53 15.775 9.699 -8.642 408 HD3 ARG 53 2HD ARG 53 14.236 10.458 -8.240 409 HE ARG 53 HE ARG 53 16.260 11.279 -6.435 410 HH11 ARG 53 2HH1 ARG 53 15.124 11.743 -9.693 411 HH12 ARG 53 1HH1 ARG 53 15.760 13.349 -9.825 412 HH21 ARG 53 2HH2 ARG 53 17.102 13.392 -6.597 413 HH22 ARG 53 1HH2 ARG 53 16.886 14.286 -8.063 414 H GLU 54 H GLU 54 14.248 10.978 -3.275 415 HA GLU 54 HA GLU 54 17.053 10.852 -2.950 416 HB2 GLU 54 1HB GLU 54 16.055 13.002 -2.928 417 HB3 GLU 54 2HB GLU 54 14.914 12.544 -1.672 418 HG2 GLU 54 1HG GLU 54 16.480 12.714 0.007 419 HG3 GLU 54 2HG GLU 54 17.838 12.494 -1.095 420 H ASP 55 H ASP 55 14.351 9.991 -0.859 421 HA ASP 55 HA ASP 55 15.688 9.606 1.540 422 HB2 ASP 55 1HB ASP 55 13.212 9.490 1.207 423 HB3 ASP 55 2HB ASP 55 13.426 7.896 0.489 424 H GLN 56 H GLN 56 15.466 7.507 -1.272 425 HA GLN 56 HA GLN 56 16.639 5.227 -0.043 426 HB2 GLN 56 1HB GLN 56 15.988 6.058 -2.828 427 HB3 GLN 56 2HB GLN 56 17.143 4.749 -2.612 428 HG2 GLN 56 1HG GLN 56 14.490 4.701 -1.231 429 HG3 GLN 56 2HG GLN 56 14.657 4.179 -2.906 430 HE21 GLN 56 2HE2 GLN 56 13.773 2.415 -1.059 431 HE22 GLN 56 1HE2 GLN 56 14.979 1.219 -0.742 432 H ARG 57 H ARG 57 17.905 8.021 -1.739 433 HA ARG 57 HA ARG 57 20.509 7.095 -2.217 434 HB2 ARG 57 1HB ARG 57 19.797 9.952 -1.568 435 HB3 ARG 57 2HB ARG 57 21.107 9.369 -2.586 436 HG2 ARG 57 1HG ARG 57 19.451 8.540 -4.205 437 HG3 ARG 57 2HG ARG 57 18.164 9.202 -3.196 438 HD2 ARG 57 1HD ARG 57 20.309 10.683 -4.693 439 HD3 ARG 57 2HD ARG 57 18.561 10.799 -4.893 440 HE ARG 57 HE ARG 57 19.040 11.565 -2.304 441 HH11 ARG 57 2HH1 ARG 57 20.086 12.615 -5.455 442 HH12 ARG 57 1HH1 ARG 57 20.289 14.269 -4.980 443 HH21 ARG 57 2HH2 ARG 57 19.303 13.739 -1.667 444 HH22 ARG 57 1HH2 ARG 57 19.844 14.907 -2.825 445 H ILE 58 H ILE 58 19.163 8.888 0.540 446 HA ILE 58 HA ILE 58 21.630 8.924 1.982 447 HB ILE 58 HB ILE 58 18.818 9.385 2.985 448 HG12 ILE 58 1HG1 ILE 58 19.462 10.959 1.218 449 HG13 ILE 58 2HG1 ILE 58 19.369 11.771 2.777 450 HG21 ILE 58 1HG2 ILE 58 19.776 9.298 4.999 451 HG22 ILE 58 2HG2 ILE 58 21.401 9.296 4.317 452 HG23 ILE 58 3HG2 ILE 58 20.553 10.821 4.570 453 HD11 ILE 58 3HD1 ILE 58 21.884 10.869 1.395 454 HD12 ILE 58 1HD1 ILE 58 21.294 12.525 1.519 455 HD13 ILE 58 2HD1 ILE 58 21.803 11.660 2.969 456 H SER 59 H SER 59 18.681 6.968 2.145 457 HA SER 59 HA SER 59 19.372 5.459 4.409 458 HB2 SER 59 1HB SER 59 17.096 5.595 3.295 459 HB3 SER 59 2HB SER 59 17.707 4.457 2.095 460 HG SER 59 HG SER 59 16.741 3.948 4.528 461 H GLN 60 H GLN 60 20.097 5.031 0.991 462 HA GLN 60 HA GLN 60 21.235 2.434 1.265 463 HB2 GLN 60 1HB GLN 60 20.343 3.476 -0.868 464 HB3 GLN 60 2HB GLN 60 21.821 4.427 -0.922 465 HG2 GLN 60 1HG GLN 60 21.857 2.394 -2.343 466 HG3 GLN 60 2HG GLN 60 23.160 2.473 -1.159 467 HE21 GLN 60 2HE2 GLN 60 23.436 0.812 0.174 468 HE22 GLN 60 1HE2 GLN 60 22.342 -0.511 0.365 469 H ALA 61 H ALA 61 22.591 5.705 1.097 470 HA ALA 61 HA ALA 61 25.304 4.910 1.209 471 HB1 ALA 61 1HB ALA 61 23.843 7.476 1.631 472 HB2 ALA 61 2HB ALA 61 25.541 7.359 2.096 473 HB3 ALA 61 3HB ALA 61 25.061 7.058 0.426 474 H LYS 62 H LYS 62 23.019 5.972 3.711 475 HA LYS 62 HA LYS 62 24.863 5.818 5.856 476 HB2 LYS 62 1HB LYS 62 23.011 6.178 7.286 477 HB3 LYS 62 2HB LYS 62 22.658 7.076 5.816 478 HG2 LYS 62 1HG LYS 62 21.234 5.196 5.063 479 HG3 LYS 62 2HG LYS 62 21.522 4.405 6.615 480 HD2 LYS 62 1HD LYS 62 20.239 7.109 6.224 481 HD3 LYS 62 2HD LYS 62 19.387 5.609 6.594 482 HE2 LYS 62 1HE LYS 62 21.330 5.747 8.548 483 HE3 LYS 62 2HE LYS 62 20.828 7.426 8.353 484 HZ1 LYS 62 3HZ LYS 62 18.966 5.160 8.816 485 HZ2 LYS 62 1HZ LYS 62 18.565 6.803 8.764 486 HZ3 LYS 62 2HZ LYS 62 19.521 6.206 10.024 487 H LEU 63 H LEU 63 22.726 3.498 4.338 488 HA LEU 63 HA LEU 63 22.797 1.514 6.337 489 HB2 LEU 63 1HB LEU 63 21.143 1.425 4.609 490 HB3 LEU 63 2HB LEU 63 22.383 1.340 3.359 491 HG LEU 63 HG LEU 63 22.314 -0.844 5.370 492 HD11 LEU 63 1HD1 LEU 63 19.917 -0.263 4.558 493 HD12 LEU 63 2HD1 LEU 63 20.468 -1.937 4.521 494 HD13 LEU 63 3HD1 LEU 63 20.451 -0.983 3.039 495 HD21 LEU 63 3HD2 LEU 63 23.735 -1.694 3.895 496 HD22 LEU 63 1HD2 LEU 63 23.504 -0.299 2.841 497 HD23 LEU 63 2HD2 LEU 63 22.457 -1.709 2.679 498 H LEU 64 H LEU 64 24.708 1.858 3.349 499 HA LEU 64 HA LEU 64 26.410 -0.347 3.953 500 HB2 LEU 64 1HB LEU 64 27.576 0.192 1.997 501 HB3 LEU 64 2HB LEU 64 25.898 0.619 1.668 502 HG LEU 64 HG LEU 64 26.761 3.010 2.458 503 HD11 LEU 64 1HD1 LEU 64 29.130 2.822 1.013 504 HD12 LEU 64 2HD1 LEU 64 29.169 1.456 2.128 505 HD13 LEU 64 3HD1 LEU 64 28.960 3.094 2.747 506 HD21 LEU 64 3HD2 LEU 64 27.242 1.863 -0.291 507 HD22 LEU 64 1HD2 LEU 64 27.057 3.570 0.111 508 HD23 LEU 64 2HD2 LEU 64 25.698 2.464 0.316 509 H LEU 65 H LEU 65 26.617 3.139 4.404 510 HA LEU 65 HA LEU 65 29.314 3.305 5.142 511 HB2 LEU 65 1HB LEU 65 27.884 5.237 4.602 512 HB3 LEU 65 2HB LEU 65 27.010 4.990 6.112 513 HG LEU 65 HG LEU 65 29.854 5.276 6.570 514 HD11 LEU 65 1HD1 LEU 65 29.553 7.859 6.060 515 HD12 LEU 65 2HD1 LEU 65 28.508 7.227 4.788 516 HD13 LEU 65 3HD1 LEU 65 30.200 6.737 4.863 517 HD21 LEU 65 3HD2 LEU 65 29.010 7.064 8.086 518 HD22 LEU 65 1HD2 LEU 65 28.249 5.492 8.334 519 HD23 LEU 65 2HD2 LEU 65 27.387 6.761 7.463 520 H SER 66 H SER 66 26.496 2.278 6.906 521 HA SER 66 HA SER 66 27.686 2.452 9.503 522 HB2 SER 66 1HB SER 66 25.363 2.510 9.609 523 HB3 SER 66 2HB SER 66 25.175 1.246 8.393 524 HG SER 66 HG SER 66 26.120 0.894 11.048 525 H THR 67 H THR 67 27.638 0.107 6.955 526 HA THR 67 HA THR 67 28.884 -1.892 8.717 527 HB THR 67 HB THR 67 26.927 -2.732 7.536 528 HG1 THR 67 HG1 THR 67 28.591 -4.229 7.824 529 HG21 THR 67 3HG2 THR 67 28.363 -1.647 5.144 530 HG22 THR 67 1HG2 THR 67 26.668 -1.481 5.600 531 HG23 THR 67 2HG2 THR 67 27.266 -3.016 4.968 532 H THR 68 H THR 68 29.878 0.551 6.920 533 HA THR 68 HA THR 68 32.298 -0.867 6.037 534 HB THR 68 HB THR 68 32.447 0.489 4.030 535 HG1 THR 68 HG1 THR 68 31.429 2.367 4.408 536 HG21 THR 68 3HG2 THR 68 30.420 -1.455 4.519 537 HG22 THR 68 1HG2 THR 68 31.284 -1.119 3.020 538 HG23 THR 68 2HG2 THR 68 29.789 -0.259 3.388 539 H ARG 69 H ARG 69 34.222 0.371 6.057 540 HA ARG 69 HA ARG 69 34.060 2.751 7.781 541 HB2 ARG 69 1HB ARG 69 35.312 0.672 8.581 542 HB3 ARG 69 2HB ARG 69 36.510 1.051 7.351 543 HG2 ARG 69 1HG ARG 69 37.141 3.038 8.413 544 HG3 ARG 69 2HG ARG 69 35.694 3.058 9.422 545 HD2 ARG 69 1HD ARG 69 36.492 1.083 10.614 546 HD3 ARG 69 2HD ARG 69 37.927 1.037 9.592 547 HE ARG 69 HE ARG 69 37.472 2.736 11.852 548 HH11 ARG 69 2HH1 ARG 69 39.154 2.440 8.819 549 HH12 ARG 69 1HH1 ARG 69 40.423 3.531 9.267 550 HH21 ARG 69 2HH2 ARG 69 39.136 4.175 12.454 551 HH22 ARG 69 1HH2 ARG 69 40.413 4.517 11.335 552 H MET 70 H MET 70 33.947 2.408 4.738 553 HA MET 70 HA MET 70 36.314 3.556 3.677 554 HB2 MET 70 1HB MET 70 33.520 3.175 2.655 555 HB3 MET 70 2HB MET 70 34.665 4.150 1.744 556 HG2 MET 70 1HG MET 70 36.224 2.154 1.850 557 HG3 MET 70 2HG MET 70 34.835 1.235 2.424 558 HE1 MET 70 3HE MET 70 32.302 1.482 -0.339 559 HE2 MET 70 1HE MET 70 32.550 2.052 1.311 560 HE3 MET 70 2HE MET 70 32.651 3.185 -0.037 561 HA PRO 71 HA PRO 71 35.861 7.846 4.478 562 HB2 PRO 71 1HB PRO 71 36.768 8.953 2.171 563 HB3 PRO 71 2HB PRO 71 37.832 8.162 3.340 564 HG2 PRO 71 1HG PRO 71 36.685 7.088 0.792 565 HG3 PRO 71 2HG PRO 71 38.329 6.924 1.435 566 HD2 PRO 71 1HD PRO 71 36.482 4.955 1.640 567 HD3 PRO 71 2HD PRO 71 37.733 5.222 2.871 568 H ILE 72 H ILE 72 34.574 9.667 4.092 569 HA ILE 72 HA ILE 72 32.023 9.243 3.074 570 HB ILE 72 HB ILE 72 33.396 11.920 3.333 571 HG12 ILE 72 1HG1 ILE 72 33.591 10.686 5.421 572 HG13 ILE 72 2HG1 ILE 72 32.400 11.970 5.603 573 HG21 ILE 72 1HG2 ILE 72 31.239 11.848 2.073 574 HG22 ILE 72 2HG2 ILE 72 30.467 11.251 3.541 575 HG23 ILE 72 3HG2 ILE 72 31.205 12.852 3.522 576 HD11 ILE 72 3HD1 ILE 72 31.013 10.444 6.396 577 HD12 ILE 72 1HD1 ILE 72 30.943 9.749 4.777 578 HD13 ILE 72 2HD1 ILE 72 32.107 9.134 5.952 579 H ALA 73 H ALA 73 34.922 10.372 1.489 580 HA ALA 73 HA ALA 73 33.707 11.437 -0.834 581 HB1 ALA 73 1HB ALA 73 35.904 12.120 -0.493 582 HB2 ALA 73 2HB ALA 73 36.472 10.477 -0.195 583 HB3 ALA 73 3HB ALA 73 36.036 10.976 -1.829 584 H THR 74 H THR 74 35.112 8.249 -0.127 585 HA THR 74 HA THR 74 34.541 7.164 -2.695 586 HB THR 74 HB THR 74 35.112 5.752 -0.082 587 HG1 THR 74 HG1 THR 74 37.184 5.478 -1.440 588 HG21 THR 74 3HG2 THR 74 33.992 4.246 -1.615 589 HG22 THR 74 1HG2 THR 74 35.702 3.826 -1.522 590 HG23 THR 74 2HG2 THR 74 35.086 4.712 -2.917 591 H VAL 75 H VAL 75 32.914 7.012 0.449 592 HA VAL 75 HA VAL 75 30.920 5.175 -0.169 593 HB VAL 75 HB VAL 75 30.702 7.582 1.645 594 HG11 VAL 75 1HG1 VAL 75 28.520 6.948 1.535 595 HG12 VAL 75 2HG1 VAL 75 28.908 5.285 1.090 596 HG13 VAL 75 3HG1 VAL 75 29.068 5.812 2.766 597 HG21 VAL 75 3HG2 VAL 75 32.131 6.523 2.977 598 HG22 VAL 75 1HG2 VAL 75 30.995 5.179 3.090 599 HG23 VAL 75 2HG2 VAL 75 32.240 5.179 1.841 600 H GLY 76 H GLY 76 31.043 8.665 -0.736 601 HA2 GLY 76 1HA GLY 76 28.406 9.069 -1.557 602 HA3 GLY 76 2HA GLY 76 29.782 10.025 -2.087 603 H ARG 77 H ARG 77 31.208 7.969 -3.413 604 HA ARG 77 HA ARG 77 30.118 8.114 -5.969 605 HB2 ARG 77 1HB ARG 77 32.164 6.267 -4.755 606 HB3 ARG 77 2HB ARG 77 31.716 6.168 -6.453 607 HG2 ARG 77 1HG ARG 77 32.332 8.608 -6.632 608 HG3 ARG 77 2HG ARG 77 33.028 8.456 -5.018 609 HD2 ARG 77 1HD ARG 77 34.726 8.180 -6.757 610 HD3 ARG 77 2HD ARG 77 34.522 6.705 -5.812 611 HE ARG 77 HE ARG 77 32.863 6.522 -8.044 612 HH11 ARG 77 2HH1 ARG 77 36.262 6.664 -7.304 613 HH12 ARG 77 1HH1 ARG 77 36.736 5.743 -8.693 614 HH21 ARG 77 2HH2 ARG 77 33.475 5.308 -9.876 615 HH22 ARG 77 1HH2 ARG 77 35.150 4.973 -10.156 616 H ASN 78 H ASN 78 29.674 5.732 -3.441 617 HA ASN 78 HA ASN 78 28.482 3.717 -5.023 618 HB2 ASN 78 1HB ASN 78 28.895 4.248 -2.181 619 HB3 ASN 78 2HB ASN 78 27.367 3.433 -2.503 620 HD21 ASN 78 2HD2 ASN 78 30.815 3.201 -2.587 621 HD22 ASN 78 1HD2 ASN 78 30.903 1.507 -2.914 622 H VAL 79 H VAL 79 27.323 6.716 -3.808 623 HA VAL 79 HA VAL 79 24.556 5.962 -4.488 624 HB VAL 79 HB VAL 79 23.997 8.113 -3.184 625 HG11 VAL 79 1HG1 VAL 79 23.584 5.750 -2.457 626 HG12 VAL 79 2HG1 VAL 79 25.118 5.818 -1.587 627 HG13 VAL 79 3HG1 VAL 79 23.800 6.903 -1.141 628 HG21 VAL 79 3HG2 VAL 79 25.630 8.667 -1.412 629 HG22 VAL 79 1HG2 VAL 79 26.794 7.591 -2.184 630 HG23 VAL 79 2HG2 VAL 79 26.228 9.031 -3.030 631 H GLY 80 H GLY 80 26.982 7.103 -6.084 632 HA2 GLY 80 1HA GLY 80 27.029 8.298 -8.069 633 HA3 GLY 80 2HA GLY 80 25.363 8.777 -7.781 634 H PHE 81 H PHE 81 26.963 9.459 -5.005 635 HA PHE 81 HA PHE 81 27.072 12.283 -5.653 636 HB2 PHE 81 1HB PHE 81 27.504 10.816 -3.043 637 HB3 PHE 81 2HB PHE 81 27.494 12.567 -3.219 638 HD1 PHE 81 HD2 PHE 81 25.199 12.376 -5.386 639 HD2 PHE 81 HD1 PHE 81 25.697 10.923 -1.416 640 HE1 PHE 81 HE2 PHE 81 22.758 12.391 -5.078 641 HE2 PHE 81 HE1 PHE 81 23.257 10.935 -1.102 642 HZ PHE 81 HZ PHE 81 21.784 11.671 -2.934 643 H ASP 82 H ASP 82 28.854 13.187 -6.417 644 HA ASP 82 HA ASP 82 31.435 11.894 -6.008 645 HB2 ASP 82 1HB ASP 82 30.456 14.074 -7.836 646 HB3 ASP 82 2HB ASP 82 32.178 13.781 -7.609 647 H ASP 83 H ASP 83 29.689 14.780 -5.106 648 HA ASP 83 HA ASP 83 32.040 15.978 -3.878 649 HB2 ASP 83 1HB ASP 83 29.192 16.874 -4.258 650 HB3 ASP 83 2HB ASP 83 30.284 17.736 -3.178 651 H GLN 84 H GLN 84 32.642 15.463 -1.890 652 HA GLN 84 HA GLN 84 31.140 13.830 -0.163 653 HB2 GLN 84 1HB GLN 84 32.872 14.398 1.528 654 HB3 GLN 84 2HB GLN 84 33.545 13.872 -0.010 655 HG2 GLN 84 1HG GLN 84 34.013 16.171 -0.620 656 HG3 GLN 84 2HG GLN 84 33.280 16.735 0.882 657 HE21 GLN 84 2HE2 GLN 84 34.260 15.217 2.791 658 HE22 GLN 84 1HE2 GLN 84 35.984 15.299 2.865 659 H LEU 85 H LEU 85 31.534 17.319 -0.361 660 HA LEU 85 HA LEU 85 30.260 17.935 2.094 661 HB2 LEU 85 1HB LEU 85 30.649 19.567 -0.408 662 HB3 LEU 85 2HB LEU 85 30.012 20.210 1.104 663 HG LEU 85 HG LEU 85 32.726 18.930 0.952 664 HD11 LEU 85 1HD1 LEU 85 33.160 20.588 -0.545 665 HD12 LEU 85 2HD1 LEU 85 33.382 21.491 0.953 666 HD13 LEU 85 3HD1 LEU 85 31.869 21.628 0.058 667 HD21 LEU 85 3HD2 LEU 85 31.168 19.819 3.057 668 HD22 LEU 85 1HD2 LEU 85 32.295 21.146 2.774 669 HD23 LEU 85 2HD2 LEU 85 32.907 19.523 3.092 670 H TYR 86 H TYR 86 29.098 17.364 -1.159 671 HA TYR 86 HA TYR 86 26.498 18.400 -0.851 672 HB2 TYR 86 1HB TYR 86 27.497 17.851 -3.040 673 HB3 TYR 86 2HB TYR 86 27.426 16.139 -2.636 674 HD1 TYR 86 HD2 TYR 86 25.164 15.068 -2.300 675 HD2 TYR 86 HD1 TYR 86 25.627 18.964 -3.948 676 HE1 TYR 86 HE2 TYR 86 22.890 14.940 -3.229 677 HE2 TYR 86 HE1 TYR 86 23.354 18.846 -4.880 678 HH TYR 86 HH TYR 86 21.440 17.689 -4.925 679 H PHE 87 H PHE 87 27.759 15.098 -0.465 680 HA PHE 87 HA PHE 87 25.288 13.948 0.292 681 HB2 PHE 87 1HB PHE 87 26.987 12.483 -0.505 682 HB3 PHE 87 2HB PHE 87 28.148 13.072 0.679 683 HD1 PHE 87 HD2 PHE 87 24.656 11.767 0.881 684 HD2 PHE 87 HD1 PHE 87 28.689 11.454 2.203 685 HE1 PHE 87 HE2 PHE 87 24.010 9.950 2.410 686 HE2 PHE 87 HE1 PHE 87 28.051 9.636 3.733 687 HZ PHE 87 HZ PHE 87 25.708 8.883 3.839 688 H SER 88 H SER 88 28.015 15.217 2.163 689 HA SER 88 HA SER 88 27.000 14.534 4.707 690 HB2 SER 88 1HB SER 88 28.714 15.944 5.604 691 HB3 SER 88 2HB SER 88 29.385 15.182 4.162 692 HG SER 88 HG SER 88 28.616 17.201 3.077 693 H ARG 89 H ARG 89 26.641 17.392 2.675 694 HA ARG 89 HA ARG 89 25.394 19.061 4.557 695 HB2 ARG 89 1HB ARG 89 25.515 18.959 1.576 696 HB3 ARG 89 2HB ARG 89 24.326 20.014 2.328 697 HG2 ARG 89 1HG ARG 89 25.958 21.345 3.326 698 HG3 ARG 89 2HG ARG 89 27.212 20.121 3.118 699 HD2 ARG 89 1HD ARG 89 27.421 22.037 1.554 700 HD3 ARG 89 2HD ARG 89 27.250 20.479 0.746 701 HE ARG 89 HE ARG 89 25.273 21.203 -0.148 702 HH11 ARG 89 2HH1 ARG 89 26.161 23.292 2.491 703 HH12 ARG 89 1HH1 ARG 89 24.900 24.439 2.179 704 HH21 ARG 89 2HH2 ARG 89 23.609 22.705 -0.569 705 HH22 ARG 89 1HH2 ARG 89 23.448 24.103 0.439 706 H VAL 90 H VAL 90 23.977 16.921 2.089 707 HA VAL 90 HA VAL 90 21.290 17.410 2.883 708 HB VAL 90 HB VAL 90 22.433 15.106 1.297 709 HG11 VAL 90 1HG1 VAL 90 19.602 16.010 1.771 710 HG12 VAL 90 2HG1 VAL 90 20.067 14.947 0.441 711 HG13 VAL 90 3HG1 VAL 90 20.311 14.431 2.110 712 HG21 VAL 90 3HG2 VAL 90 21.040 17.580 0.287 713 HG22 VAL 90 1HG2 VAL 90 22.793 17.404 0.363 714 HG23 VAL 90 2HG2 VAL 90 21.843 16.331 -0.665 715 H PHE 91 H PHE 91 23.579 14.772 3.514 716 HA PHE 91 HA PHE 91 21.842 13.139 4.991 717 HB2 PHE 91 1HB PHE 91 23.933 12.261 4.161 718 HB3 PHE 91 2HB PHE 91 24.849 13.425 5.114 719 HD1 PHE 91 HD1 PHE 91 25.036 13.173 7.539 720 HD2 PHE 91 HD2 PHE 91 23.041 10.275 5.143 721 HE1 PHE 91 HE1 PHE 91 25.159 11.560 9.393 722 HE2 PHE 91 HE2 PHE 91 23.160 8.658 6.994 723 HZ PHE 91 HZ PHE 91 24.219 9.300 9.123 724 H LYS 92 H LYS 92 23.866 15.855 5.931 725 HA LYS 92 HA LYS 92 23.752 15.585 8.704 726 HB2 LYS 92 1HB LYS 92 25.229 17.183 7.599 727 HB3 LYS 92 2HB LYS 92 23.842 18.107 7.038 728 HG2 LYS 92 1HG LYS 92 23.286 18.286 9.576 729 HG3 LYS 92 2HG LYS 92 24.995 17.895 9.779 730 HD2 LYS 92 1HD LYS 92 25.234 20.138 9.626 731 HD3 LYS 92 2HD LYS 92 25.177 19.807 7.894 732 HE2 LYS 92 1HE LYS 92 22.838 20.340 7.812 733 HE3 LYS 92 2HE LYS 92 22.762 20.481 9.568 734 HZ1 LYS 92 3HZ LYS 92 24.753 22.210 8.708 735 HZ2 LYS 92 1HZ LYS 92 23.237 22.617 9.338 736 HZ3 LYS 92 2HZ LYS 92 23.442 22.451 7.667 737 H LYS 93 H LYS 93 21.573 17.351 6.519 738 HA LYS 93 HA LYS 93 19.789 18.106 8.632 739 HB2 LYS 93 1HB LYS 93 19.297 18.129 5.650 740 HB3 LYS 93 2HB LYS 93 18.383 19.006 6.870 741 HG2 LYS 93 1HG LYS 93 20.168 20.481 7.296 742 HG3 LYS 93 2HG LYS 93 21.317 19.463 6.423 743 HD2 LYS 93 1HD LYS 93 19.835 19.897 4.371 744 HD3 LYS 93 2HD LYS 93 19.134 21.207 5.324 745 HE2 LYS 93 1HE LYS 93 21.569 21.955 5.690 746 HE3 LYS 93 2HE LYS 93 21.950 20.888 4.340 747 HZ1 LYS 93 3HZ LYS 93 20.450 23.401 4.357 748 HZ2 LYS 93 1HZ LYS 93 19.998 22.219 3.234 749 HZ3 LYS 93 2HZ LYS 93 21.577 22.824 3.235 750 H CYS 94 H CYS 94 20.111 15.398 6.502 751 HA CYS 94 HA CYS 94 17.504 14.417 6.460 752 HB2 CYS 94 1HB CYS 94 19.740 13.589 5.311 753 HB3 CYS 94 2HB CYS 94 19.787 12.505 6.697 754 HG CYS 94 HG CYS 94 17.381 12.656 4.276 755 H THR 95 H THR 95 20.123 13.714 8.763 756 HA THR 95 HA THR 95 18.125 12.539 10.576 757 HB THR 95 HB THR 95 20.002 11.465 11.736 758 HG1 THR 95 HG1 THR 95 22.077 11.596 10.446 759 HG21 THR 95 3HG2 THR 95 18.886 10.370 9.781 760 HG22 THR 95 1HG2 THR 95 20.538 9.828 10.069 761 HG23 THR 95 2HG2 THR 95 20.199 10.967 8.767 762 H GLY 96 H GLY 96 19.934 15.317 10.066 763 HA2 GLY 96 1HA GLY 96 19.703 17.250 11.415 764 HA3 GLY 96 2HA GLY 96 19.364 16.216 12.795 765 H ALA 97 H ALA 97 21.862 14.691 11.507 766 HA ALA 97 HA ALA 97 23.931 16.440 12.631 767 HB1 ALA 97 1HB ALA 97 24.099 13.550 13.294 768 HB2 ALA 97 2HB ALA 97 24.682 14.954 14.188 769 HB3 ALA 97 3HB ALA 97 22.966 14.546 14.208 770 H SER 98 H SER 98 26.012 16.116 11.808 771 HA SER 98 HA SER 98 26.144 15.241 9.129 772 HB2 SER 98 1HB SER 98 28.768 15.343 9.917 773 HB3 SER 98 2HB SER 98 27.826 16.732 9.376 774 HG SER 98 HG SER 98 28.535 17.381 11.304 775 HA PRO 99 HA PRO 99 27.186 10.986 9.336 776 HB2 PRO 99 1HB PRO 99 29.133 10.746 7.459 777 HB3 PRO 99 2HB PRO 99 27.435 11.023 7.052 778 HG2 PRO 99 1HG PRO 99 29.692 12.984 7.198 779 HG3 PRO 99 2HG PRO 99 28.410 12.841 5.981 780 HD2 PRO 99 1HD PRO 99 28.333 14.676 7.971 781 HD3 PRO 99 2HD PRO 99 26.867 13.937 7.296 782 H SER 100 H SER 100 29.906 13.224 9.526 783 HA SER 100 HA SER 100 31.814 11.351 10.459 784 HB2 SER 100 1HB SER 100 32.247 13.676 9.476 785 HB3 SER 100 2HB SER 100 31.854 14.304 11.076 786 HG SER 100 HG SER 100 34.135 13.143 10.201 787 H GLU 101 H GLU 101 29.424 13.362 12.050 788 HA GLU 101 HA GLU 101 30.411 12.912 14.698 789 HB2 GLU 101 1HB GLU 101 29.025 14.882 14.028 790 HB3 GLU 101 2HB GLU 101 27.649 13.802 13.854 791 HG2 GLU 101 1HG GLU 101 27.233 13.837 16.031 792 HG3 GLU 101 2HG GLU 101 28.915 13.496 16.432 793 H PHE 102 H PHE 102 27.705 11.604 12.802 794 HA PHE 102 HA PHE 102 26.683 9.886 14.757 795 HB2 PHE 102 1HB PHE 102 25.479 10.442 12.685 796 HB3 PHE 102 2HB PHE 102 26.662 9.532 11.752 797 HD1 PHE 102 HD1 PHE 102 26.694 7.106 11.808 798 HD2 PHE 102 HD2 PHE 102 23.794 9.329 13.992 799 HE1 PHE 102 HE1 PHE 102 25.352 5.064 12.098 800 HE2 PHE 102 HE2 PHE 102 22.449 7.290 14.287 801 HZ PHE 102 HZ PHE 102 23.227 5.154 13.340 802 H ARG 103 H ARG 103 29.090 9.288 12.215 803 HA ARG 103 HA ARG 103 29.510 6.565 12.873 804 HB2 ARG 103 1HB ARG 103 31.336 6.630 11.356 805 HB3 ARG 103 2HB ARG 103 30.108 7.701 10.695 806 HG2 ARG 103 1HG ARG 103 31.317 9.634 11.563 807 HG3 ARG 103 2HG ARG 103 32.545 8.562 12.239 808 HD2 ARG 103 1HD ARG 103 31.845 8.662 9.311 809 HD3 ARG 103 2HD ARG 103 33.133 9.623 10.037 810 HE ARG 103 HE ARG 103 33.596 6.990 10.761 811 HH11 ARG 103 2HH1 ARG 103 33.423 8.865 7.833 812 HH12 ARG 103 1HH1 ARG 103 34.549 7.868 6.973 813 HH21 ARG 103 2HH2 ARG 103 35.080 5.669 9.640 814 HH22 ARG 103 1HH2 ARG 103 35.490 6.050 8.002 815 H ALA 104 H ALA 104 30.848 9.563 14.056 816 HA ALA 104 HA ALA 104 33.142 8.537 15.328 817 HB1 ALA 104 1HB ALA 104 31.514 11.018 15.620 818 HB2 ALA 104 2HB ALA 104 32.744 10.643 16.828 819 HB3 ALA 104 3HB ALA 104 33.199 10.826 15.134 820 H GLY 105 H GLY 105 29.776 8.591 16.234 821 HA2 GLY 105 1HA GLY 105 28.823 7.139 17.826 822 HA3 GLY 105 2HA GLY 105 30.412 6.923 18.547 823 H CYS 106 H CYS 106 30.380 10.090 18.201 824 HA CYS 106 HA CYS 106 29.586 10.539 20.946 825 HB2 CYS 106 1HB CYS 106 31.631 11.543 19.648 826 HB3 CYS 106 2HB CYS 106 30.455 12.729 19.094 827 HG CYS 106 HG CYS 106 30.738 14.247 21.132 828 H GLU 107 H GLU 107 27.846 11.667 21.657 829 HA GLU 107 HA GLU 107 26.223 13.236 19.866 830 HB2 GLU 107 1HB GLU 107 25.458 10.921 19.402 831 HB3 GLU 107 2HB GLU 107 25.049 10.740 21.102 832 HG2 GLU 107 1HG GLU 107 23.320 12.342 20.956 833 HG3 GLU 107 2HG GLU 107 23.856 12.877 19.364 Start of MODEL 11 1 H1 MET 1 H MET 1 1.848 -2.535 0.792 2 HA MET 1 HA MET 1 1.468 0.051 -0.565 3 HB2 MET 1 1HB MET 1 3.796 -0.604 0.271 4 HB3 MET 1 2HB MET 1 3.789 -1.820 -1.000 5 HG2 MET 1 1HG MET 1 3.723 -0.192 -2.698 6 HG3 MET 1 2HG MET 1 3.319 1.089 -1.558 7 HE1 MET 1 3HE MET 1 6.528 2.768 -1.565 8 HE2 MET 1 1HE MET 1 4.796 2.752 -1.897 9 HE3 MET 1 2HE MET 1 5.378 2.561 -0.244 10 H ASP 2 H ASP 2 1.112 0.092 -2.787 11 HA ASP 2 HA ASP 2 -0.240 -2.221 -3.835 12 HB2 ASP 2 1HB ASP 2 -0.722 0.364 -4.176 13 HB3 ASP 2 2HB ASP 2 0.371 0.151 -5.541 14 H ASN 3 H ASN 3 0.313 -3.411 -5.672 15 HA ASN 3 HA ASN 3 3.027 -4.042 -5.973 16 HB2 ASN 3 1HB ASN 3 2.287 -5.370 -7.942 17 HB3 ASN 3 2HB ASN 3 1.304 -5.660 -6.509 18 HD21 ASN 3 2HD2 ASN 3 1.299 -4.832 -9.761 19 HD22 ASN 3 1HD2 ASN 3 -0.359 -4.368 -9.903 20 H ARG 4 H ARG 4 0.862 -2.095 -8.000 21 HA ARG 4 HA ARG 4 2.656 -1.563 -10.078 22 HB2 ARG 4 1HB ARG 4 0.429 0.186 -9.014 23 HB3 ARG 4 2HB ARG 4 1.221 0.381 -10.572 24 HG2 ARG 4 1HG ARG 4 -0.212 -2.141 -9.795 25 HG3 ARG 4 2HG ARG 4 -1.022 -0.781 -10.575 26 HD2 ARG 4 1HD ARG 4 0.253 -1.004 -12.533 27 HD3 ARG 4 2HD ARG 4 1.451 -2.024 -11.737 28 HE ARG 4 HE ARG 4 0.123 -3.844 -12.147 29 HH11 ARG 4 2HH1 ARG 4 -1.741 -0.940 -12.608 30 HH12 ARG 4 1HH1 ARG 4 -3.110 -1.768 -13.271 31 HH21 ARG 4 2HH2 ARG 4 -1.673 -4.946 -13.020 32 HH22 ARG 4 1HH2 ARG 4 -3.071 -4.047 -13.505 33 H VAL 5 H VAL 5 1.965 0.307 -7.131 34 HA VAL 5 HA VAL 5 3.812 2.376 -7.647 35 HB VAL 5 HB VAL 5 2.868 1.424 -4.941 36 HG11 VAL 5 1HG1 VAL 5 4.781 3.288 -5.536 37 HG12 VAL 5 2HG1 VAL 5 3.326 4.276 -5.387 38 HG13 VAL 5 3HG1 VAL 5 3.831 3.240 -4.052 39 HG21 VAL 5 3HG2 VAL 5 1.070 3.062 -5.165 40 HG22 VAL 5 1HG2 VAL 5 1.611 3.440 -6.801 41 HG23 VAL 5 2HG2 VAL 5 0.973 1.838 -6.431 42 H ARG 6 H ARG 6 4.097 -0.707 -5.956 43 HA ARG 6 HA ARG 6 6.692 -0.256 -4.909 44 HB2 ARG 6 1HB ARG 6 4.860 -2.095 -4.378 45 HB3 ARG 6 2HB ARG 6 5.766 -3.014 -5.573 46 HG2 ARG 6 1HG ARG 6 7.533 -3.308 -4.207 47 HG3 ARG 6 2HG ARG 6 7.366 -1.713 -3.470 48 HD2 ARG 6 1HD ARG 6 6.786 -3.080 -1.714 49 HD3 ARG 6 2HD ARG 6 5.207 -2.745 -2.423 50 HE ARG 6 HE ARG 6 6.368 -5.093 -3.531 51 HH11 ARG 6 2HH1 ARG 6 4.712 -3.867 -0.724 52 HH12 ARG 6 1HH1 ARG 6 4.037 -5.403 -0.291 53 HH21 ARG 6 2HH2 ARG 6 5.485 -7.120 -2.970 54 HH22 ARG 6 1HH2 ARG 6 4.478 -7.252 -1.568 55 H GLU 7 H GLU 7 5.495 -1.550 -7.946 56 HA GLU 7 HA GLU 7 7.894 -2.663 -8.894 57 HB2 GLU 7 1HB GLU 7 5.384 -2.672 -9.811 58 HB3 GLU 7 2HB GLU 7 6.029 -1.395 -10.833 59 HG2 GLU 7 1HG GLU 7 6.449 -3.181 -12.162 60 HG3 GLU 7 2HG GLU 7 7.946 -3.162 -11.232 61 H ALA 8 H ALA 8 6.597 0.608 -9.042 62 HA ALA 8 HA ALA 8 8.399 1.720 -10.864 63 HB1 ALA 8 1HB ALA 8 6.428 2.678 -8.996 64 HB2 ALA 8 2HB ALA 8 7.847 3.727 -9.002 65 HB3 ALA 8 3HB ALA 8 6.988 3.397 -10.507 66 H CYS 9 H CYS 9 8.689 1.123 -7.408 67 HA CYS 9 HA CYS 9 10.996 2.628 -6.906 68 HB2 CYS 9 1HB CYS 9 9.701 1.758 -5.072 69 HB3 CYS 9 2HB CYS 9 9.966 0.102 -5.605 70 HG CYS 9 HG CYS 9 11.757 -0.128 -3.756 71 H GLN 10 H GLN 10 10.565 -0.576 -8.262 72 HA GLN 10 HA GLN 10 13.223 -1.468 -8.067 73 HB2 GLN 10 1HB GLN 10 11.336 -2.954 -8.589 74 HB3 GLN 10 2HB GLN 10 11.139 -2.159 -10.145 75 HG2 GLN 10 1HG GLN 10 12.319 -4.334 -10.257 76 HG3 GLN 10 2HG GLN 10 13.239 -2.981 -10.914 77 HE21 GLN 10 2HE2 GLN 10 13.152 -5.499 -8.631 78 HE22 GLN 10 1HE2 GLN 10 14.661 -5.169 -7.857 79 H TYR 11 H TYR 11 11.530 0.327 -10.607 80 HA TYR 11 HA TYR 11 13.724 0.379 -12.409 81 HB2 TYR 11 1HB TYR 11 11.518 0.724 -13.283 82 HB3 TYR 11 2HB TYR 11 11.236 2.080 -12.197 83 HD1 TYR 11 HD2 TYR 11 13.811 1.101 -14.734 84 HD2 TYR 11 HD1 TYR 11 11.266 4.147 -13.202 85 HE1 TYR 11 HE2 TYR 11 14.631 2.647 -16.462 86 HE2 TYR 11 HE1 TYR 11 12.077 5.701 -14.927 87 HH TYR 11 HH TYR 11 14.376 5.830 -16.353 88 H ILE 12 H ILE 12 12.436 2.754 -10.101 89 HA ILE 12 HA ILE 12 14.285 4.795 -10.629 90 HB ILE 12 HB ILE 12 12.882 4.196 -8.022 91 HG12 ILE 12 1HG1 ILE 12 12.066 6.132 -10.193 92 HG13 ILE 12 2HG1 ILE 12 11.424 4.497 -10.068 93 HG21 ILE 12 1HG2 ILE 12 14.028 5.899 -7.181 94 HG22 ILE 12 2HG2 ILE 12 14.825 6.170 -8.730 95 HG23 ILE 12 3HG2 ILE 12 13.286 6.957 -8.382 96 HD11 ILE 12 3HD1 ILE 12 9.839 5.342 -8.777 97 HD12 ILE 12 1HD1 ILE 12 11.074 5.567 -7.538 98 HD13 ILE 12 2HD1 ILE 12 10.679 6.886 -8.640 99 H SER 13 H SER 13 14.418 2.031 -8.447 100 HA SER 13 HA SER 13 16.703 2.756 -6.998 101 HB2 SER 13 1HB SER 13 16.802 0.491 -6.278 102 HB3 SER 13 2HB SER 13 15.090 0.840 -6.518 103 HG SER 13 HG SER 13 15.130 -0.834 -7.779 104 H ASP 14 H ASP 14 16.346 1.001 -10.047 105 HA ASP 14 HA ASP 14 19.092 0.380 -10.363 106 HB2 ASP 14 1HB ASP 14 16.678 0.344 -12.106 107 HB3 ASP 14 2HB ASP 14 18.251 0.324 -12.897 108 H HIS 15 H HIS 15 17.111 3.129 -11.286 109 HA HIS 15 HA HIS 15 19.359 4.371 -12.675 110 HB2 HIS 15 1HB HIS 15 16.428 4.971 -12.469 111 HB3 HIS 15 2HB HIS 15 17.547 6.229 -12.987 112 HD1 HIS 15 HD1 HIS 15 17.983 6.304 -15.420 113 HD2 HIS 15 HD2 HIS 15 16.675 2.554 -14.198 114 HE1 HIS 15 HE1 HIS 15 17.749 4.953 -17.529 115 H LEU 16 H LEU 16 19.011 3.955 -9.656 116 HA LEU 16 HA LEU 16 18.649 6.428 -8.398 117 HB2 LEU 16 1HB LEU 16 18.769 4.141 -7.333 118 HB3 LEU 16 2HB LEU 16 20.522 4.263 -7.470 119 HG LEU 16 HG LEU 16 20.511 6.202 -5.985 120 HD11 LEU 16 1HD1 LEU 16 17.617 6.003 -6.422 121 HD12 LEU 16 2HD1 LEU 16 18.616 7.401 -6.027 122 HD13 LEU 16 3HD1 LEU 16 18.100 6.298 -4.752 123 HD21 LEU 16 3HD2 LEU 16 19.185 3.679 -5.047 124 HD22 LEU 16 1HD2 LEU 16 19.572 4.991 -3.933 125 HD23 LEU 16 2HD2 LEU 16 20.859 4.196 -4.839 126 H ALA 17 H ALA 17 21.371 5.093 -10.100 127 HA ALA 17 HA ALA 17 23.142 7.222 -9.174 128 HB1 ALA 17 1HB ALA 17 24.594 5.829 -11.008 129 HB2 ALA 17 2HB ALA 17 24.539 5.471 -9.281 130 HB3 ALA 17 3HB ALA 17 23.501 4.585 -10.399 131 H ASP 18 H ASP 18 21.118 6.429 -11.832 132 HA ASP 18 HA ASP 18 22.390 7.840 -13.901 133 HB2 ASP 18 1HB ASP 18 20.263 6.245 -13.853 134 HB3 ASP 18 2HB ASP 18 19.411 7.785 -13.775 135 H SER 19 H SER 19 22.196 9.931 -14.651 136 HA SER 19 HA SER 19 21.471 11.894 -12.640 137 HB2 SER 19 1HB SER 19 22.624 12.366 -15.397 138 HB3 SER 19 2HB SER 19 22.586 13.506 -14.052 139 HG SER 19 HG SER 19 24.364 12.647 -13.364 140 H ASN 20 H ASN 20 20.662 11.239 -16.046 141 HA ASN 20 HA ASN 20 18.492 13.138 -16.006 142 HB2 ASN 20 1HB ASN 20 19.536 11.201 -18.066 143 HB3 ASN 20 2HB ASN 20 18.053 12.115 -18.322 144 HD21 ASN 20 2HD2 ASN 20 20.564 12.211 -19.781 145 HD22 ASN 20 1HD2 ASN 20 21.111 13.847 -19.692 146 H PHE 21 H PHE 21 16.892 12.525 -14.636 147 HA PHE 21 HA PHE 21 15.799 9.814 -14.900 148 HB2 PHE 21 1HB PHE 21 16.318 10.359 -12.626 149 HB3 PHE 21 2HB PHE 21 15.496 11.911 -12.749 150 HD1 PHE 21 HD1 PHE 21 14.396 8.513 -13.789 151 HD2 PHE 21 HD2 PHE 21 13.765 11.849 -11.222 152 HE1 PHE 21 HE1 PHE 21 12.325 7.476 -12.956 153 HE2 PHE 21 HE2 PHE 21 11.695 10.817 -10.384 154 HZ PHE 21 HZ PHE 21 10.973 8.628 -11.251 155 H ASP 22 H ASP 22 13.878 9.460 -15.815 156 HA ASP 22 HA ASP 22 12.196 11.799 -16.437 157 HB2 ASP 22 1HB ASP 22 13.390 10.210 -18.270 158 HB3 ASP 22 2HB ASP 22 11.872 9.343 -18.058 159 H ILE 23 H ILE 23 10.315 11.844 -15.417 160 HA ILE 23 HA ILE 23 9.376 9.765 -13.775 161 HB ILE 23 HB ILE 23 8.810 12.194 -13.516 162 HG12 ILE 23 1HG1 ILE 23 6.480 10.265 -13.623 163 HG13 ILE 23 2HG1 ILE 23 7.605 10.447 -12.281 164 HG21 ILE 23 1HG2 ILE 23 8.259 12.545 -15.923 165 HG22 ILE 23 2HG2 ILE 23 6.761 11.653 -15.657 166 HG23 ILE 23 3HG2 ILE 23 7.047 13.171 -14.805 167 HD11 ILE 23 3HD1 ILE 23 6.672 13.000 -12.652 168 HD12 ILE 23 1HD1 ILE 23 5.254 12.002 -12.974 169 HD13 ILE 23 2HD1 ILE 23 6.107 11.852 -11.437 170 H ALA 24 H ALA 24 8.817 10.523 -17.123 171 HA ALA 24 HA ALA 24 6.436 9.131 -17.572 172 HB1 ALA 24 1HB ALA 24 6.902 10.270 -19.451 173 HB2 ALA 24 2HB ALA 24 8.646 10.139 -19.222 174 HB3 ALA 24 3HB ALA 24 7.745 8.793 -19.920 175 H SER 25 H SER 25 9.793 8.012 -17.570 176 HA SER 25 HA SER 25 9.303 5.402 -18.494 177 HB2 SER 25 1HB SER 25 11.512 6.445 -16.705 178 HB3 SER 25 2HB SER 25 11.511 4.859 -17.478 179 HG SER 25 HG SER 25 11.823 5.773 -19.402 180 H VAL 26 H VAL 26 9.016 6.868 -15.342 181 HA VAL 26 HA VAL 26 8.928 4.494 -13.805 182 HB VAL 26 HB VAL 26 7.636 7.156 -13.195 183 HG11 VAL 26 1HG1 VAL 26 8.476 4.945 -11.324 184 HG12 VAL 26 2HG1 VAL 26 7.682 6.460 -10.886 185 HG13 VAL 26 3HG1 VAL 26 6.818 5.252 -11.839 186 HG21 VAL 26 3HG2 VAL 26 9.749 7.899 -13.165 187 HG22 VAL 26 1HG2 VAL 26 9.904 6.977 -11.670 188 HG23 VAL 26 2HG2 VAL 26 10.419 6.269 -13.200 189 H ALA 27 H ALA 27 6.350 6.543 -15.151 190 HA ALA 27 HA ALA 27 4.215 4.931 -14.224 191 HB1 ALA 27 1HB ALA 27 4.487 7.383 -15.556 192 HB2 ALA 27 2HB ALA 27 3.507 6.360 -16.608 193 HB3 ALA 27 3HB ALA 27 3.006 6.648 -14.941 194 H GLN 28 H GLN 28 5.987 5.061 -17.284 195 HA GLN 28 HA GLN 28 4.390 3.237 -18.705 196 HB2 GLN 28 1HB GLN 28 5.937 4.624 -19.899 197 HB3 GLN 28 2HB GLN 28 7.300 3.988 -18.987 198 HG2 GLN 28 1HG GLN 28 7.194 3.089 -21.260 199 HG3 GLN 28 2HG GLN 28 7.046 1.831 -20.034 200 HE21 GLN 28 2HE2 GLN 28 5.974 0.368 -21.281 201 HE22 GLN 28 1HE2 GLN 28 4.368 0.608 -21.871 202 H HIS 29 H HIS 29 7.117 2.783 -16.529 203 HA HIS 29 HA HIS 29 7.660 0.093 -17.035 204 HB2 HIS 29 1HB HIS 29 9.194 1.321 -15.691 205 HB3 HIS 29 2HB HIS 29 7.941 1.753 -14.532 206 HD1 HIS 29 HD1 HIS 29 8.581 -1.746 -15.805 207 HD2 HIS 29 HD2 HIS 29 8.993 0.496 -12.331 208 HE1 HIS 29 HE1 HIS 29 9.221 -3.392 -14.014 209 H VAL 30 H VAL 30 5.182 1.602 -15.060 210 HA VAL 30 HA VAL 30 4.244 -1.011 -14.136 211 HB VAL 30 HB VAL 30 2.719 0.225 -12.685 212 HG11 VAL 30 1HG1 VAL 30 5.634 0.825 -12.663 213 HG12 VAL 30 2HG1 VAL 30 4.594 1.641 -11.495 214 HG13 VAL 30 3HG1 VAL 30 4.667 -0.121 -11.533 215 HG21 VAL 30 3HG2 VAL 30 2.337 2.121 -14.243 216 HG22 VAL 30 1HG2 VAL 30 2.687 2.629 -12.591 217 HG23 VAL 30 2HG2 VAL 30 3.938 2.736 -13.830 218 H CYS 31 H CYS 31 3.971 0.283 -16.928 219 HA CYS 31 HA CYS 31 2.425 0.427 -18.595 220 HB2 CYS 31 1HB CYS 31 1.186 -1.734 -16.884 221 HB3 CYS 31 2HB CYS 31 0.617 -1.322 -18.497 222 HG CYS 31 HG CYS 31 2.198 -2.931 -19.704 223 H LEU 32 H LEU 32 2.131 2.369 -16.572 224 HA LEU 32 HA LEU 32 -0.721 2.948 -16.874 225 HB2 LEU 32 1HB LEU 32 0.029 1.957 -14.551 226 HB3 LEU 32 2HB LEU 32 0.571 3.610 -14.273 227 HG LEU 32 HG LEU 32 -1.731 4.403 -14.668 228 HD11 LEU 32 1HD1 LEU 32 -3.056 3.057 -15.853 229 HD12 LEU 32 2HD1 LEU 32 -3.310 2.179 -14.345 230 HD13 LEU 32 3HD1 LEU 32 -2.083 1.632 -15.488 231 HD21 LEU 32 3HD2 LEU 32 -0.781 3.666 -12.400 232 HD22 LEU 32 1HD2 LEU 32 -1.813 2.248 -12.584 233 HD23 LEU 32 2HD2 LEU 32 -2.529 3.859 -12.544 234 H SER 33 H SER 33 -1.219 5.252 -16.398 235 HA SER 33 HA SER 33 0.650 6.940 -17.734 236 HB2 SER 33 1HB SER 33 -2.067 7.266 -16.552 237 HB3 SER 33 2HB SER 33 -1.110 8.723 -16.817 238 HG SER 33 HG SER 33 -2.552 7.633 -18.587 239 HA PRO 34 HA PRO 34 2.959 8.678 -14.435 240 HB2 PRO 34 1HB PRO 34 3.163 11.281 -15.178 241 HB3 PRO 34 2HB PRO 34 4.030 9.977 -15.998 242 HG2 PRO 34 1HG PRO 34 1.490 11.352 -16.786 243 HG3 PRO 34 2HG PRO 34 2.872 10.888 -17.797 244 HD2 PRO 34 1HD PRO 34 0.590 9.434 -17.692 245 HD3 PRO 34 2HD PRO 34 2.182 8.694 -17.951 246 H SER 35 H SER 35 0.096 10.577 -15.335 247 HA SER 35 HA SER 35 -0.069 12.017 -12.901 248 HB2 SER 35 1HB SER 35 -2.070 11.443 -15.086 249 HB3 SER 35 2HB SER 35 -2.478 12.407 -13.667 250 HG SER 35 HG SER 35 -1.164 13.150 -15.878 251 H ARG 36 H ARG 36 -1.728 9.109 -14.085 252 HA ARG 36 HA ARG 36 -3.340 8.710 -11.811 253 HB2 ARG 36 1HB ARG 36 -3.607 7.626 -14.083 254 HB3 ARG 36 2HB ARG 36 -2.295 6.545 -13.635 255 HG2 ARG 36 1HG ARG 36 -4.221 5.334 -13.160 256 HG3 ARG 36 2HG ARG 36 -3.717 5.965 -11.591 257 HD2 ARG 36 1HD ARG 36 -5.643 7.518 -13.264 258 HD3 ARG 36 2HD ARG 36 -6.215 6.129 -12.340 259 HE ARG 36 HE ARG 36 -4.800 7.618 -10.540 260 HH11 ARG 36 2HH1 ARG 36 -7.485 8.221 -12.673 261 HH12 ARG 36 1HH1 ARG 36 -8.201 9.418 -11.646 262 HH21 ARG 36 2HH2 ARG 36 -5.733 9.192 -9.179 263 HH22 ARG 36 1HH2 ARG 36 -7.203 9.971 -9.659 264 H LEU 37 H LEU 37 -0.151 7.429 -12.690 265 HA LEU 37 HA LEU 37 0.138 5.803 -10.386 266 HB2 LEU 37 1HB LEU 37 1.438 5.371 -12.365 267 HB3 LEU 37 2HB LEU 37 2.175 6.969 -12.275 268 HG LEU 37 HG LEU 37 3.111 6.147 -10.004 269 HD11 LEU 37 1HD1 LEU 37 3.515 3.503 -10.658 270 HD12 LEU 37 2HD1 LEU 37 1.810 3.759 -11.029 271 HD13 LEU 37 3HD1 LEU 37 2.423 4.112 -9.414 272 HD21 LEU 37 3HD2 LEU 37 5.041 6.016 -11.109 273 HD22 LEU 37 1HD2 LEU 37 4.096 6.225 -12.583 274 HD23 LEU 37 2HD2 LEU 37 4.513 4.605 -12.026 275 H SER 38 H SER 38 1.256 9.069 -11.195 276 HA SER 38 HA SER 38 2.742 9.543 -8.868 277 HB2 SER 38 1HB SER 38 2.824 10.969 -10.901 278 HB3 SER 38 2HB SER 38 1.213 11.573 -10.515 279 HG SER 38 HG SER 38 2.097 12.902 -9.164 280 H HIS 39 H HIS 39 -0.689 9.944 -9.561 281 HA HIS 39 HA HIS 39 -1.426 11.366 -7.267 282 HB2 HIS 39 1HB HIS 39 -2.923 11.060 -9.187 283 HB3 HIS 39 2HB HIS 39 -3.039 9.339 -8.830 284 HD1 HIS 39 HD1 HIS 39 -4.611 12.534 -8.105 285 HD2 HIS 39 HD2 HIS 39 -4.361 8.817 -6.265 286 HE1 HIS 39 HE1 HIS 39 -6.473 12.494 -6.416 287 H LEU 40 H LEU 40 -1.381 7.858 -7.853 288 HA LEU 40 HA LEU 40 -2.189 7.192 -5.203 289 HB2 LEU 40 1HB LEU 40 -1.225 5.722 -7.590 290 HB3 LEU 40 2HB LEU 40 -1.069 4.918 -6.029 291 HG LEU 40 HG LEU 40 -3.659 5.961 -7.174 292 HD11 LEU 40 1HD1 LEU 40 -3.820 3.219 -7.024 293 HD12 LEU 40 2HD1 LEU 40 -2.188 3.494 -7.633 294 HD13 LEU 40 3HD1 LEU 40 -3.574 4.166 -8.492 295 HD21 LEU 40 3HD2 LEU 40 -3.803 5.920 -4.810 296 HD22 LEU 40 1HD2 LEU 40 -2.972 4.368 -4.714 297 HD23 LEU 40 2HD2 LEU 40 -4.602 4.455 -5.383 298 H PHE 41 H PHE 41 0.888 7.663 -6.799 299 HA PHE 41 HA PHE 41 2.561 6.448 -4.904 300 HB2 PHE 41 1HB PHE 41 2.932 7.752 -7.298 301 HB3 PHE 41 2HB PHE 41 3.665 8.863 -6.146 302 HD1 PHE 41 HD1 PHE 41 5.580 8.163 -4.792 303 HD2 PHE 41 HD2 PHE 41 3.912 5.628 -7.776 304 HE1 PHE 41 HE1 PHE 41 7.611 6.774 -4.742 305 HE2 PHE 41 HE2 PHE 41 5.939 4.235 -7.731 306 HZ PHE 41 HZ PHE 41 7.792 4.806 -6.212 307 H ARG 42 H ARG 42 1.526 9.838 -5.213 308 HA ARG 42 HA ARG 42 2.866 10.741 -2.891 309 HB2 ARG 42 1HB ARG 42 0.786 11.821 -4.718 310 HB3 ARG 42 2HB ARG 42 0.916 12.561 -3.128 311 HG2 ARG 42 1HG ARG 42 2.790 13.639 -3.664 312 HG3 ARG 42 2HG ARG 42 3.493 12.216 -4.435 313 HD2 ARG 42 1HD ARG 42 3.265 13.527 -6.277 314 HD3 ARG 42 2HD ARG 42 1.662 12.792 -6.273 315 HE ARG 42 HE ARG 42 0.766 14.844 -5.812 316 HH11 ARG 42 2HH1 ARG 42 4.178 14.918 -5.125 317 HH12 ARG 42 1HH1 ARG 42 4.215 16.625 -4.831 318 HH21 ARG 42 2HH2 ARG 42 0.801 17.092 -5.428 319 HH22 ARG 42 1HH2 ARG 42 2.293 17.860 -5.004 320 H GLN 43 H GLN 43 -0.173 9.153 -3.409 321 HA GLN 43 HA GLN 43 -1.290 9.856 -0.855 322 HB2 GLN 43 1HB GLN 43 -2.486 9.132 -3.082 323 HB3 GLN 43 2HB GLN 43 -2.239 7.510 -2.449 324 HG2 GLN 43 1HG GLN 43 -3.519 9.624 -0.768 325 HG3 GLN 43 2HG GLN 43 -4.455 8.728 -1.963 326 HE21 GLN 43 2HE2 GLN 43 -3.596 8.824 1.192 327 HE22 GLN 43 1HE2 GLN 43 -3.825 7.164 1.613 328 H GLN 44 H GLN 44 0.351 7.051 -2.241 329 HA GLN 44 HA GLN 44 0.114 5.510 0.181 330 HB2 GLN 44 1HB GLN 44 1.315 5.101 -2.511 331 HB3 GLN 44 2HB GLN 44 1.937 4.127 -1.185 332 HG2 GLN 44 1HG GLN 44 -0.926 4.276 -2.099 333 HG3 GLN 44 2HG GLN 44 0.195 2.943 -2.369 334 HE21 GLN 44 2HE2 GLN 44 -2.316 2.729 -1.102 335 HE22 GLN 44 1HE2 GLN 44 -2.047 2.242 0.533 336 H LEU 45 H LEU 45 2.620 7.392 -1.441 337 HA LEU 45 HA LEU 45 4.556 6.781 0.639 338 HB2 LEU 45 1HB LEU 45 4.644 8.335 -1.923 339 HB3 LEU 45 2HB LEU 45 5.945 8.455 -0.740 340 HG LEU 45 HG LEU 45 6.541 6.897 -2.492 341 HD11 LEU 45 1HD1 LEU 45 5.911 5.141 -0.162 342 HD12 LEU 45 2HD1 LEU 45 7.021 6.496 0.035 343 HD13 LEU 45 3HD1 LEU 45 7.376 5.230 -1.140 344 HD21 LEU 45 3HD2 LEU 45 5.291 4.881 -2.919 345 HD22 LEU 45 1HD2 LEU 45 4.234 6.276 -3.130 346 HD23 LEU 45 2HD2 LEU 45 4.121 5.298 -1.666 347 H GLY 46 H GLY 46 2.165 9.115 -0.007 348 HA2 GLY 46 1HA GLY 46 1.499 10.968 1.179 349 HA3 GLY 46 2HA GLY 46 2.646 10.494 2.423 350 H ILE 47 H ILE 47 4.182 10.768 -0.543 351 HA ILE 47 HA ILE 47 4.697 13.621 -0.342 352 HB ILE 47 HB ILE 47 7.099 13.409 -0.166 353 HG12 ILE 47 1HG1 ILE 47 6.602 10.435 0.094 354 HG13 ILE 47 2HG1 ILE 47 7.351 11.237 -1.283 355 HG21 ILE 47 1HG2 ILE 47 7.277 12.636 2.147 356 HG22 ILE 47 2HG2 ILE 47 5.827 13.609 1.904 357 HG23 ILE 47 3HG2 ILE 47 5.703 11.853 2.008 358 HD11 ILE 47 3HD1 ILE 47 9.029 10.203 0.103 359 HD12 ILE 47 1HD1 ILE 47 9.193 11.958 0.168 360 HD13 ILE 47 2HD1 ILE 47 8.451 11.091 1.513 361 H SER 48 H SER 48 6.415 14.235 -2.068 362 HA SER 48 HA SER 48 5.447 13.222 -4.574 363 HB2 SER 48 1HB SER 48 6.149 15.649 -3.993 364 HB3 SER 48 2HB SER 48 7.793 15.084 -4.288 365 HG SER 48 HG SER 48 6.181 15.946 -6.082 366 H VAL 49 H VAL 49 6.742 12.323 -6.257 367 HA VAL 49 HA VAL 49 8.320 10.166 -5.524 368 HB VAL 49 HB VAL 49 8.503 11.628 -8.160 369 HG11 VAL 49 1HG1 VAL 49 9.062 9.399 -9.044 370 HG12 VAL 49 2HG1 VAL 49 10.240 9.965 -7.858 371 HG13 VAL 49 3HG1 VAL 49 9.037 8.758 -7.402 372 HG21 VAL 49 3HG2 VAL 49 6.213 11.244 -7.910 373 HG22 VAL 49 1HG2 VAL 49 6.775 9.846 -8.826 374 HG23 VAL 49 2HG2 VAL 49 6.464 9.701 -7.096 375 H LEU 50 H LEU 50 9.301 13.427 -6.488 376 HA LEU 50 HA LEU 50 12.069 12.978 -6.574 377 HB2 LEU 50 1HB LEU 50 10.496 15.060 -7.175 378 HB3 LEU 50 2HB LEU 50 11.102 15.604 -5.612 379 HG LEU 50 HG LEU 50 13.401 15.420 -6.450 380 HD11 LEU 50 1HD1 LEU 50 12.972 15.303 -9.235 381 HD12 LEU 50 2HD1 LEU 50 12.136 13.923 -8.522 382 HD13 LEU 50 3HD1 LEU 50 13.856 14.165 -8.218 383 HD21 LEU 50 3HD2 LEU 50 12.306 17.556 -6.626 384 HD22 LEU 50 1HD2 LEU 50 11.533 17.079 -8.138 385 HD23 LEU 50 2HD2 LEU 50 13.283 17.291 -8.071 386 H SER 51 H SER 51 9.900 13.728 -3.915 387 HA SER 51 HA SER 51 11.961 14.231 -2.005 388 HB2 SER 51 1HB SER 51 9.000 13.805 -1.876 389 HB3 SER 51 2HB SER 51 9.944 13.724 -0.389 390 HG SER 51 HG SER 51 9.798 15.898 -2.209 391 H TRP 52 H TRP 52 9.861 11.445 -2.680 392 HA TRP 52 HA TRP 52 10.840 9.763 -0.668 393 HB2 TRP 52 1HB TRP 52 8.808 9.169 -1.776 394 HB3 TRP 52 2HB TRP 52 9.596 9.156 -3.352 395 HD1 TRP 52 HD1 TRP 52 9.110 7.025 -0.228 396 HE1 TRP 52 HE1 TRP 52 9.920 4.632 -0.721 397 HE3 TRP 52 HE3 TRP 52 11.263 7.822 -4.796 398 HZ2 TRP 52 HZ2 TRP 52 11.290 3.263 -2.775 399 HZ3 TRP 52 HZ3 TRP 52 12.302 5.918 -5.958 400 HH2 TRP 52 HH2 TRP 52 12.315 3.687 -4.967 401 H ARG 53 H ARG 53 11.937 10.292 -3.985 402 HA ARG 53 HA ARG 53 13.811 8.231 -4.148 403 HB2 ARG 53 1HB ARG 53 13.148 9.503 -6.104 404 HB3 ARG 53 2HB ARG 53 13.840 10.970 -5.423 405 HG2 ARG 53 1HG ARG 53 16.071 9.825 -5.474 406 HG3 ARG 53 2HG ARG 53 15.300 8.528 -6.390 407 HD2 ARG 53 1HD ARG 53 14.893 11.301 -7.351 408 HD3 ARG 53 2HD ARG 53 16.500 10.605 -7.557 409 HE ARG 53 HE ARG 53 14.091 9.865 -8.953 410 HH11 ARG 53 2HH1 ARG 53 17.281 8.865 -7.980 411 HH12 ARG 53 1HH1 ARG 53 17.441 7.693 -9.246 412 HH21 ARG 53 2HH2 ARG 53 14.291 8.325 -10.624 413 HH22 ARG 53 1HH2 ARG 53 15.740 7.387 -10.750 414 H GLU 54 H GLU 54 14.199 11.576 -3.019 415 HA GLU 54 HA GLU 54 16.961 11.379 -2.458 416 HB2 GLU 54 1HB GLU 54 15.341 13.458 -2.623 417 HB3 GLU 54 2HB GLU 54 15.200 13.212 -0.888 418 HG2 GLU 54 1HG GLU 54 17.801 13.589 -2.352 419 HG3 GLU 54 2HG GLU 54 16.917 14.870 -1.525 420 H ASP 55 H ASP 55 14.082 10.970 -0.431 421 HA ASP 55 HA ASP 55 15.326 10.615 2.028 422 HB2 ASP 55 1HB ASP 55 12.768 10.661 1.267 423 HB3 ASP 55 2HB ASP 55 12.963 8.916 1.403 424 H GLN 56 H GLN 56 14.660 8.260 -0.525 425 HA GLN 56 HA GLN 56 15.566 5.996 0.917 426 HB2 GLN 56 1HB GLN 56 14.977 6.592 -1.949 427 HB3 GLN 56 2HB GLN 56 15.871 5.129 -1.560 428 HG2 GLN 56 1HG GLN 56 13.137 5.878 -0.550 429 HG3 GLN 56 2HG GLN 56 13.515 4.650 -1.756 430 HE21 GLN 56 2HE2 GLN 56 12.666 5.060 1.345 431 HE22 GLN 56 1HE2 GLN 56 13.345 3.634 2.045 432 H ARG 57 H ARG 57 17.148 8.295 -1.230 433 HA ARG 57 HA ARG 57 19.567 6.957 -1.610 434 HB2 ARG 57 1HB ARG 57 18.810 9.864 -1.592 435 HB3 ARG 57 2HB ARG 57 20.484 9.373 -1.816 436 HG2 ARG 57 1HG ARG 57 20.017 8.299 -3.842 437 HG3 ARG 57 2HG ARG 57 18.280 8.286 -3.532 438 HD2 ARG 57 1HD ARG 57 18.318 10.055 -4.940 439 HD3 ARG 57 2HD ARG 57 18.719 10.927 -3.461 440 HE ARG 57 HE ARG 57 21.139 10.194 -4.415 441 HH11 ARG 57 2HH1 ARG 57 18.408 11.823 -5.832 442 HH12 ARG 57 1HH1 ARG 57 19.370 12.758 -6.929 443 HH21 ARG 57 2HH2 ARG 57 22.416 11.419 -5.854 444 HH22 ARG 57 1HH2 ARG 57 21.649 12.527 -6.941 445 H ILE 58 H ILE 58 18.527 9.123 0.986 446 HA ILE 58 HA ILE 58 21.011 9.244 2.326 447 HB ILE 58 HB ILE 58 18.241 9.568 3.487 448 HG12 ILE 58 1HG1 ILE 58 18.655 11.107 1.624 449 HG13 ILE 58 2HG1 ILE 58 18.614 11.975 3.154 450 HG21 ILE 58 1HG2 ILE 58 20.197 11.161 4.786 451 HG22 ILE 58 2HG2 ILE 58 19.224 9.852 5.454 452 HG23 ILE 58 3HG2 ILE 58 20.792 9.502 4.727 453 HD11 ILE 58 3HD1 ILE 58 21.010 11.275 1.490 454 HD12 ILE 58 1HD1 ILE 58 20.397 12.875 1.906 455 HD13 ILE 58 2HD1 ILE 58 21.126 11.860 3.150 456 H SER 59 H SER 59 18.174 7.157 2.755 457 HA SER 59 HA SER 59 19.191 5.734 4.979 458 HB2 SER 59 1HB SER 59 16.771 5.840 4.229 459 HB3 SER 59 2HB SER 59 17.196 4.683 2.967 460 HG SER 59 HG SER 59 17.844 3.241 4.617 461 H GLN 60 H GLN 60 19.426 5.263 1.505 462 HA GLN 60 HA GLN 60 20.518 2.655 1.578 463 HB2 GLN 60 1HB GLN 60 19.618 4.292 -0.399 464 HB3 GLN 60 2HB GLN 60 21.356 4.405 -0.644 465 HG2 GLN 60 1HG GLN 60 19.600 1.983 -0.787 466 HG3 GLN 60 2HG GLN 60 20.652 2.661 -2.028 467 HE21 GLN 60 2HE2 GLN 60 22.745 2.051 -2.116 468 HE22 GLN 60 1HE2 GLN 60 23.469 0.901 -1.049 469 H ALA 61 H ALA 61 21.997 5.872 1.469 470 HA ALA 61 HA ALA 61 24.660 5.113 1.189 471 HB1 ALA 61 1HB ALA 61 23.514 7.466 1.220 472 HB2 ALA 61 2HB ALA 61 23.961 7.433 2.926 473 HB3 ALA 61 3HB ALA 61 25.206 7.288 1.686 474 H LYS 62 H LYS 62 22.649 5.345 4.078 475 HA LYS 62 HA LYS 62 24.662 5.007 6.001 476 HB2 LYS 62 1HB LYS 62 21.742 4.230 6.066 477 HB3 LYS 62 2HB LYS 62 22.802 4.193 7.469 478 HG2 LYS 62 1HG LYS 62 23.175 6.605 7.238 479 HG3 LYS 62 2HG LYS 62 22.078 6.631 5.855 480 HD2 LYS 62 1HD LYS 62 20.495 5.429 7.659 481 HD3 LYS 62 2HD LYS 62 21.494 6.397 8.746 482 HE2 LYS 62 1HE LYS 62 20.726 8.387 7.897 483 HE3 LYS 62 2HE LYS 62 20.344 7.692 6.323 484 HZ1 LYS 62 3HZ LYS 62 18.303 8.140 7.385 485 HZ2 LYS 62 1HZ LYS 62 18.801 7.433 8.839 486 HZ3 LYS 62 2HZ LYS 62 18.511 6.464 7.483 487 H LEU 63 H LEU 63 22.763 2.660 4.172 488 HA LEU 63 HA LEU 63 23.588 0.349 5.538 489 HB2 LEU 63 1HB LEU 63 21.781 0.782 3.659 490 HB3 LEU 63 2HB LEU 63 23.092 0.253 2.606 491 HG LEU 63 HG LEU 63 21.587 -1.585 3.124 492 HD11 LEU 63 1HD1 LEU 63 24.133 -2.058 4.642 493 HD12 LEU 63 2HD1 LEU 63 24.104 -1.879 2.889 494 HD13 LEU 63 3HD1 LEU 63 23.210 -3.192 3.655 495 HD21 LEU 63 3HD2 LEU 63 20.939 -0.617 5.382 496 HD22 LEU 63 1HD2 LEU 63 22.419 -1.350 6.002 497 HD23 LEU 63 2HD2 LEU 63 21.158 -2.366 5.302 498 H LEU 64 H LEU 64 24.947 2.003 2.712 499 HA LEU 64 HA LEU 64 27.029 0.114 2.285 500 HB2 LEU 64 1HB LEU 64 26.982 3.007 1.451 501 HB3 LEU 64 2HB LEU 64 27.935 1.707 0.738 502 HG LEU 64 HG LEU 64 25.051 1.229 0.649 503 HD11 LEU 64 1HD1 LEU 64 24.513 3.356 0.136 504 HD12 LEU 64 2HD1 LEU 64 25.147 2.911 -1.448 505 HD13 LEU 64 3HD1 LEU 64 26.166 3.786 -0.304 506 HD21 LEU 64 3HD2 LEU 64 27.464 0.857 -0.994 507 HD22 LEU 64 1HD2 LEU 64 25.970 1.131 -1.889 508 HD23 LEU 64 2HD2 LEU 64 26.079 -0.208 -0.746 509 H LEU 65 H LEU 65 26.876 3.250 3.933 510 HA LEU 65 HA LEU 65 29.620 3.350 4.622 511 HB2 LEU 65 1HB LEU 65 27.169 4.822 5.318 512 HB3 LEU 65 2HB LEU 65 28.435 4.849 6.543 513 HG LEU 65 HG LEU 65 29.123 5.558 3.726 514 HD11 LEU 65 1HD1 LEU 65 28.573 7.918 4.246 515 HD12 LEU 65 2HD1 LEU 65 27.735 7.368 5.696 516 HD13 LEU 65 3HD1 LEU 65 27.154 6.881 4.104 517 HD21 LEU 65 3HD2 LEU 65 30.756 5.287 5.687 518 HD22 LEU 65 1HD2 LEU 65 30.084 6.808 6.277 519 HD23 LEU 65 2HD2 LEU 65 30.877 6.746 4.703 520 H SER 66 H SER 66 26.886 1.733 5.994 521 HA SER 66 HA SER 66 28.254 1.208 8.510 522 HB2 SER 66 1HB SER 66 25.512 0.461 7.481 523 HB3 SER 66 2HB SER 66 26.138 -0.069 9.041 524 HG SER 66 HG SER 66 24.828 2.019 8.801 525 H THR 67 H THR 67 27.590 -0.323 5.475 526 HA THR 67 HA THR 67 28.427 -2.940 6.466 527 HB THR 67 HB THR 67 26.471 -2.596 4.835 528 HG1 THR 67 HG1 THR 67 26.863 -4.610 4.044 529 HG21 THR 67 3HG2 THR 67 26.825 -1.949 2.703 530 HG22 THR 67 1HG2 THR 67 28.364 -2.803 2.592 531 HG23 THR 67 2HG2 THR 67 28.289 -1.217 3.360 532 H THR 68 H THR 68 29.778 -0.187 5.063 533 HA THR 68 HA THR 68 32.201 -1.700 4.361 534 HB THR 68 HB THR 68 32.582 -0.510 2.388 535 HG1 THR 68 HG1 THR 68 30.993 1.325 1.926 536 HG21 THR 68 3HG2 THR 68 29.673 -0.423 1.984 537 HG22 THR 68 1HG2 THR 68 30.284 -1.950 2.618 538 HG23 THR 68 2HG2 THR 68 30.914 -1.310 1.100 539 H ARG 69 H ARG 69 34.107 -0.088 4.089 540 HA ARG 69 HA ARG 69 33.960 1.879 6.280 541 HB2 ARG 69 1HB ARG 69 36.302 1.405 6.766 542 HB3 ARG 69 2HB ARG 69 35.345 -0.068 6.861 543 HG2 ARG 69 1HG ARG 69 36.683 0.568 4.287 544 HG3 ARG 69 2HG ARG 69 37.672 -0.003 5.633 545 HD2 ARG 69 1HD ARG 69 36.774 -2.084 5.587 546 HD3 ARG 69 2HD ARG 69 35.185 -1.503 5.092 547 HE ARG 69 HE ARG 69 37.052 -1.181 2.992 548 HH11 ARG 69 2HH1 ARG 69 35.206 -3.610 4.669 549 HH12 ARG 69 1HH1 ARG 69 35.134 -4.681 3.309 550 HH21 ARG 69 2HH2 ARG 69 36.966 -2.583 1.194 551 HH22 ARG 69 1HH2 ARG 69 36.137 -4.096 1.333 552 H MET 70 H MET 70 33.664 2.024 3.234 553 HA MET 70 HA MET 70 35.883 3.442 2.211 554 HB2 MET 70 1HB MET 70 32.986 3.356 1.368 555 HB3 MET 70 2HB MET 70 34.223 4.228 0.472 556 HG2 MET 70 1HG MET 70 35.458 2.121 0.176 557 HG3 MET 70 2HG MET 70 34.161 1.269 1.010 558 HE1 MET 70 3HE MET 70 31.893 0.737 0.086 559 HE2 MET 70 1HE MET 70 31.464 2.442 -0.063 560 HE3 MET 70 2HE MET 70 31.218 1.349 -1.425 561 HA PRO 71 HA PRO 71 35.431 7.489 3.850 562 HB2 PRO 71 1HB PRO 71 36.234 9.013 1.752 563 HB3 PRO 71 2HB PRO 71 37.351 8.039 2.716 564 HG2 PRO 71 1HG PRO 71 36.113 7.430 0.059 565 HG3 PRO 71 2HG PRO 71 37.783 7.177 0.599 566 HD2 PRO 71 1HD PRO 71 35.963 5.175 0.509 567 HD3 PRO 71 2HD PRO 71 37.260 5.233 1.720 568 H ILE 72 H ILE 72 34.348 9.588 3.537 569 HA ILE 72 HA ILE 72 31.662 9.279 2.763 570 HB ILE 72 HB ILE 72 33.115 11.902 3.099 571 HG12 ILE 72 1HG1 ILE 72 33.551 10.511 5.046 572 HG13 ILE 72 2HG1 ILE 72 32.401 11.775 5.470 573 HG21 ILE 72 1HG2 ILE 72 30.786 11.859 2.112 574 HG22 ILE 72 2HG2 ILE 72 30.235 11.263 3.677 575 HG23 ILE 72 3HG2 ILE 72 30.999 12.848 3.557 576 HD11 ILE 72 3HD1 ILE 72 31.816 9.610 6.442 577 HD12 ILE 72 1HD1 ILE 72 30.576 10.195 5.333 578 HD13 ILE 72 2HD1 ILE 72 31.689 8.925 4.822 579 H ALA 73 H ALA 73 34.474 10.455 1.058 580 HA ALA 73 HA ALA 73 33.135 11.757 -1.065 581 HB1 ALA 73 1HB ALA 73 35.417 12.273 -0.745 582 HB2 ALA 73 2HB ALA 73 35.891 10.576 -0.830 583 HB3 ALA 73 3HB ALA 73 35.325 11.407 -2.279 584 H THR 74 H THR 74 34.446 8.468 -0.745 585 HA THR 74 HA THR 74 33.691 7.615 -3.336 586 HB THR 74 HB THR 74 34.215 5.966 -0.855 587 HG1 THR 74 HG1 THR 74 35.868 6.839 -3.001 588 HG21 THR 74 3HG2 THR 74 32.978 4.644 -2.442 589 HG22 THR 74 1HG2 THR 74 34.667 4.140 -2.489 590 HG23 THR 74 2HG2 THR 74 34.020 5.175 -3.762 591 H VAL 75 H VAL 75 32.165 7.237 -0.151 592 HA VAL 75 HA VAL 75 30.007 5.651 -0.897 593 HB VAL 75 HB VAL 75 30.073 7.810 1.215 594 HG11 VAL 75 1HG1 VAL 75 28.334 5.685 1.896 595 HG12 VAL 75 2HG1 VAL 75 27.929 7.375 1.588 596 HG13 VAL 75 3HG1 VAL 75 27.918 6.209 0.265 597 HG21 VAL 75 3HG2 VAL 75 30.236 4.963 1.952 598 HG22 VAL 75 1HG2 VAL 75 31.645 5.618 1.117 599 HG23 VAL 75 2HG2 VAL 75 31.085 6.360 2.616 600 H GLY 76 H GLY 76 30.388 9.165 -1.028 601 HA2 GLY 76 1HA GLY 76 27.773 9.887 -1.654 602 HA3 GLY 76 2HA GLY 76 29.204 10.773 -2.160 603 H ARG 77 H ARG 77 30.395 8.905 -3.835 604 HA ARG 77 HA ARG 77 29.091 9.374 -6.252 605 HB2 ARG 77 1HB ARG 77 31.527 8.288 -5.458 606 HB3 ARG 77 2HB ARG 77 30.737 6.978 -6.323 607 HG2 ARG 77 1HG ARG 77 30.387 9.351 -7.833 608 HG3 ARG 77 2HG ARG 77 32.087 9.234 -7.374 609 HD2 ARG 77 1HD ARG 77 32.003 6.840 -8.186 610 HD3 ARG 77 2HD ARG 77 30.428 7.225 -8.877 611 HE ARG 77 HE ARG 77 31.476 8.423 -10.534 612 HH11 ARG 77 2HH1 ARG 77 33.755 7.675 -8.011 613 HH12 ARG 77 1HH1 ARG 77 35.132 8.204 -8.919 614 HH21 ARG 77 2HH2 ARG 77 33.282 9.122 -11.740 615 HH22 ARG 77 1HH2 ARG 77 34.862 9.028 -11.039 616 H ASN 78 H ASN 78 28.860 6.686 -4.016 617 HA ASN 78 HA ASN 78 27.532 4.863 -5.698 618 HB2 ASN 78 1HB ASN 78 28.196 5.070 -2.889 619 HB3 ASN 78 2HB ASN 78 26.572 4.421 -3.099 620 HD21 ASN 78 2HD2 ASN 78 29.756 3.639 -2.874 621 HD22 ASN 78 1HD2 ASN 78 29.724 2.084 -3.628 622 H VAL 79 H VAL 79 26.404 7.587 -3.819 623 HA VAL 79 HA VAL 79 23.615 6.940 -4.441 624 HB VAL 79 HB VAL 79 23.021 8.756 -2.910 625 HG11 VAL 79 1HG1 VAL 79 24.403 7.718 -0.864 626 HG12 VAL 79 2HG1 VAL 79 23.058 6.881 -1.641 627 HG13 VAL 79 3HG1 VAL 79 24.719 6.482 -2.082 628 HG21 VAL 79 3HG2 VAL 79 25.089 10.111 -3.421 629 HG22 VAL 79 1HG2 VAL 79 24.622 10.040 -1.722 630 HG23 VAL 79 2HG2 VAL 79 25.958 9.050 -2.312 631 H GLY 80 H GLY 80 25.805 8.078 -6.283 632 HA2 GLY 80 1HA GLY 80 25.692 9.390 -8.180 633 HA3 GLY 80 2HA GLY 80 24.057 9.840 -7.717 634 H PHE 81 H PHE 81 26.013 10.398 -5.110 635 HA PHE 81 HA PHE 81 25.920 13.251 -5.540 636 HB2 PHE 81 1HB PHE 81 26.588 11.461 -3.241 637 HB3 PHE 81 2HB PHE 81 27.144 13.131 -3.204 638 HD1 PHE 81 HD2 PHE 81 23.972 11.691 -4.507 639 HD2 PHE 81 HD1 PHE 81 25.843 14.193 -1.617 640 HE1 PHE 81 HE2 PHE 81 21.761 12.404 -3.698 641 HE2 PHE 81 HE1 PHE 81 23.635 14.910 -0.802 642 HZ PHE 81 HZ PHE 81 21.590 14.016 -1.844 643 H ASP 82 H ASP 82 27.463 14.323 -6.563 644 HA ASP 82 HA ASP 82 30.076 13.148 -6.960 645 HB2 ASP 82 1HB ASP 82 28.794 15.704 -7.928 646 HB3 ASP 82 2HB ASP 82 30.470 15.287 -8.275 647 H ASP 83 H ASP 83 28.621 15.683 -5.048 648 HA ASP 83 HA ASP 83 31.245 16.558 -4.090 649 HB2 ASP 83 1HB ASP 83 29.710 18.336 -4.711 650 HB3 ASP 83 2HB ASP 83 28.478 17.690 -3.630 651 H GLN 84 H GLN 84 32.071 15.657 -2.335 652 HA GLN 84 HA GLN 84 30.692 13.826 -0.709 653 HB2 GLN 84 1HB GLN 84 32.676 13.915 0.746 654 HB3 GLN 84 2HB GLN 84 33.111 13.753 -0.950 655 HG2 GLN 84 1HG GLN 84 33.255 16.376 -0.817 656 HG3 GLN 84 2HG GLN 84 33.494 16.044 0.898 657 HE21 GLN 84 2HE2 GLN 84 35.486 15.644 1.545 658 HE22 GLN 84 1HE2 GLN 84 36.810 15.192 0.532 659 H LEU 85 H LEU 85 31.455 17.247 -0.274 660 HA LEU 85 HA LEU 85 30.517 17.452 2.385 661 HB2 LEU 85 1HB LEU 85 31.224 19.332 0.210 662 HB3 LEU 85 2HB LEU 85 30.190 19.953 1.496 663 HG LEU 85 HG LEU 85 32.532 20.482 1.906 664 HD11 LEU 85 1HD1 LEU 85 32.451 18.661 4.060 665 HD12 LEU 85 2HD1 LEU 85 30.786 19.109 3.691 666 HD13 LEU 85 3HD1 LEU 85 31.977 20.360 4.046 667 HD21 LEU 85 3HD2 LEU 85 34.242 18.963 1.955 668 HD22 LEU 85 1HD2 LEU 85 33.219 18.235 0.717 669 HD23 LEU 85 2HD2 LEU 85 33.183 17.614 2.368 670 H TYR 86 H TYR 86 28.946 17.650 -0.735 671 HA TYR 86 HA TYR 86 26.542 18.857 0.033 672 HB2 TYR 86 1HB TYR 86 27.038 18.613 -2.298 673 HB3 TYR 86 2HB TYR 86 27.156 16.863 -2.151 674 HD1 TYR 86 HD1 TYR 86 24.502 18.914 -0.605 675 HD2 TYR 86 HD2 TYR 86 25.529 16.289 -3.792 676 HE1 TYR 86 HE1 TYR 86 22.123 18.709 -1.195 677 HE2 TYR 86 HE2 TYR 86 23.153 16.078 -4.392 678 HH TYR 86 HH TYR 86 20.667 17.974 -2.747 679 H PHE 87 H PHE 87 27.438 15.422 -0.107 680 HA PHE 87 HA PHE 87 24.965 14.387 0.719 681 HB2 PHE 87 1HB PHE 87 26.580 12.915 -0.270 682 HB3 PHE 87 2HB PHE 87 27.768 13.291 0.974 683 HD1 PHE 87 HD1 PHE 87 24.270 12.003 0.748 684 HD2 PHE 87 HD2 PHE 87 28.092 11.712 2.598 685 HE1 PHE 87 HE1 PHE 87 23.479 10.087 2.073 686 HE2 PHE 87 HE2 PHE 87 27.307 9.795 3.925 687 HZ PHE 87 HZ PHE 87 24.998 8.979 3.664 688 H SER 88 H SER 88 27.859 15.246 2.586 689 HA SER 88 HA SER 88 26.835 14.468 5.101 690 HB2 SER 88 1HB SER 88 28.685 15.771 6.045 691 HB3 SER 88 2HB SER 88 29.242 14.809 4.676 692 HG SER 88 HG SER 88 29.062 17.550 4.963 693 H ARG 89 H ARG 89 26.683 17.468 3.276 694 HA ARG 89 HA ARG 89 25.703 19.126 5.329 695 HB2 ARG 89 1HB ARG 89 25.747 19.231 2.352 696 HB3 ARG 89 2HB ARG 89 24.655 20.322 3.194 697 HG2 ARG 89 1HG ARG 89 26.434 21.389 4.321 698 HG3 ARG 89 2HG ARG 89 27.580 20.134 3.845 699 HD2 ARG 89 1HD ARG 89 27.258 20.806 1.481 700 HD3 ARG 89 2HD ARG 89 26.220 22.122 2.031 701 HE ARG 89 HE ARG 89 28.704 22.275 3.345 702 HH11 ARG 89 2HH1 ARG 89 27.279 22.740 0.203 703 HH12 ARG 89 1HH1 ARG 89 28.440 23.927 -0.292 704 HH21 ARG 89 2HH2 ARG 89 30.239 23.836 2.706 705 HH22 ARG 89 1HH2 ARG 89 30.124 24.549 1.132 706 H VAL 90 H VAL 90 23.975 17.364 2.760 707 HA VAL 90 HA VAL 90 21.389 18.052 3.731 708 HB VAL 90 HB VAL 90 21.727 17.448 1.392 709 HG11 VAL 90 1HG1 VAL 90 22.156 14.605 2.276 710 HG12 VAL 90 2HG1 VAL 90 22.333 15.286 0.658 711 HG13 VAL 90 3HG1 VAL 90 23.488 15.706 1.923 712 HG21 VAL 90 3HG2 VAL 90 20.020 15.201 2.210 713 HG22 VAL 90 1HG2 VAL 90 19.614 16.752 2.946 714 HG23 VAL 90 2HG2 VAL 90 19.655 16.593 1.190 715 H PHE 91 H PHE 91 23.489 15.236 4.106 716 HA PHE 91 HA PHE 91 21.622 13.612 5.470 717 HB2 PHE 91 1HB PHE 91 23.692 12.755 4.401 718 HB3 PHE 91 2HB PHE 91 24.641 13.548 5.654 719 HD1 PHE 91 HD2 PHE 91 24.436 12.783 8.014 720 HD2 PHE 91 HD1 PHE 91 22.664 10.667 4.773 721 HE1 PHE 91 HE2 PHE 91 24.225 10.787 9.436 722 HE2 PHE 91 HE1 PHE 91 22.449 8.668 6.191 723 HZ PHE 91 HZ PHE 91 23.231 8.726 8.526 724 H LYS 92 H LYS 92 23.936 16.029 6.540 725 HA LYS 92 HA LYS 92 23.929 15.516 9.279 726 HB2 LYS 92 1HB LYS 92 25.508 17.068 8.347 727 HB3 LYS 92 2HB LYS 92 24.219 18.113 7.764 728 HG2 LYS 92 1HG LYS 92 23.604 18.669 10.044 729 HG3 LYS 92 2HG LYS 92 24.844 17.574 10.661 730 HD2 LYS 92 1HD LYS 92 26.589 18.927 9.720 731 HD3 LYS 92 2HD LYS 92 25.414 19.944 8.885 732 HE2 LYS 92 1HE LYS 92 26.061 21.181 10.774 733 HE3 LYS 92 2HE LYS 92 24.490 20.496 11.190 734 HZ1 LYS 92 3HZ LYS 92 25.451 19.662 12.988 735 HZ2 LYS 92 1HZ LYS 92 26.992 20.134 12.473 736 HZ3 LYS 92 2HZ LYS 92 26.362 18.639 11.995 737 H LYS 93 H LYS 93 21.809 17.654 7.387 738 HA LYS 93 HA LYS 93 20.202 18.351 9.657 739 HB2 LYS 93 1HB LYS 93 19.994 18.831 6.699 740 HB3 LYS 93 2HB LYS 93 18.653 19.226 7.766 741 HG2 LYS 93 1HG LYS 93 19.762 20.960 8.750 742 HG3 LYS 93 2HG LYS 93 21.353 20.248 8.468 743 HD2 LYS 93 1HD LYS 93 21.035 22.215 7.071 744 HD3 LYS 93 2HD LYS 93 21.146 20.761 6.076 745 HE2 LYS 93 1HE LYS 93 18.884 20.790 5.559 746 HE3 LYS 93 2HE LYS 93 18.477 21.788 6.954 747 HZ1 LYS 93 3HZ LYS 93 20.111 23.404 5.562 748 HZ2 LYS 93 1HZ LYS 93 18.422 23.430 5.458 749 HZ3 LYS 93 2HZ LYS 93 19.326 22.577 4.312 750 H CYS 94 H CYS 94 20.185 15.836 7.281 751 HA CYS 94 HA CYS 94 17.514 15.077 7.269 752 HB2 CYS 94 1HB CYS 94 19.298 14.134 5.801 753 HB3 CYS 94 2HB CYS 94 19.898 13.218 7.178 754 HG CYS 94 HG CYS 94 16.943 12.277 7.267 755 H THR 95 H THR 95 20.117 13.986 9.433 756 HA THR 95 HA THR 95 18.062 12.883 11.230 757 HB THR 95 HB THR 95 19.805 11.486 12.205 758 HG1 THR 95 HG1 THR 95 21.442 13.087 10.596 759 HG21 THR 95 3HG2 THR 95 19.318 9.988 10.632 760 HG22 THR 95 1HG2 THR 95 20.509 10.716 9.555 761 HG23 THR 95 2HG2 THR 95 18.841 11.289 9.542 762 H GLY 96 H GLY 96 20.175 15.462 10.845 763 HA2 GLY 96 1HA GLY 96 20.228 17.297 12.341 764 HA3 GLY 96 2HA GLY 96 19.812 16.207 13.654 765 H ALA 97 H ALA 97 22.080 14.542 12.088 766 HA ALA 97 HA ALA 97 24.366 15.917 13.307 767 HB1 ALA 97 1HB ALA 97 24.262 12.972 13.633 768 HB2 ALA 97 2HB ALA 97 24.980 14.205 14.671 769 HB3 ALA 97 3HB ALA 97 23.235 13.946 14.686 770 H SER 98 H SER 98 26.374 15.460 12.366 771 HA SER 98 HA SER 98 26.322 14.899 9.601 772 HB2 SER 98 1HB SER 98 28.342 15.618 11.606 773 HB3 SER 98 2HB SER 98 28.966 14.611 10.300 774 HG SER 98 HG SER 98 28.699 17.133 10.165 775 HA PRO 99 HA PRO 99 26.877 10.560 9.279 776 HB2 PRO 99 1HB PRO 99 28.723 10.330 7.302 777 HB3 PRO 99 2HB PRO 99 27.056 10.837 7.005 778 HG2 PRO 99 1HG PRO 99 29.526 12.508 7.271 779 HG3 PRO 99 2HG PRO 99 28.199 12.651 6.104 780 HD2 PRO 99 1HD PRO 99 28.394 14.237 8.290 781 HD3 PRO 99 2HD PRO 99 26.832 13.747 7.602 782 H SER 100 H SER 100 29.858 12.434 9.559 783 HA SER 100 HA SER 100 31.551 10.261 10.214 784 HB2 SER 100 1HB SER 100 31.732 13.231 10.369 785 HB3 SER 100 2HB SER 100 32.871 12.293 11.335 786 HG SER 100 HG SER 100 32.458 12.080 8.533 787 H GLU 101 H GLU 101 29.485 12.366 12.107 788 HA GLU 101 HA GLU 101 30.507 11.545 14.648 789 HB2 GLU 101 1HB GLU 101 29.329 13.711 14.235 790 HB3 GLU 101 2HB GLU 101 27.834 12.810 14.026 791 HG2 GLU 101 1HG GLU 101 27.517 12.626 16.217 792 HG3 GLU 101 2HG GLU 101 29.189 12.147 16.504 793 H PHE 102 H PHE 102 27.606 10.732 12.765 794 HA PHE 102 HA PHE 102 26.457 8.958 14.591 795 HB2 PHE 102 1HB PHE 102 25.362 9.885 12.528 796 HB3 PHE 102 2HB PHE 102 26.308 8.741 11.580 797 HD1 PHE 102 HD2 PHE 102 24.230 8.587 14.681 798 HD2 PHE 102 HD1 PHE 102 25.113 6.933 10.860 799 HE1 PHE 102 HE2 PHE 102 22.496 6.876 15.024 800 HE2 PHE 102 HE1 PHE 102 23.380 5.219 11.197 801 HZ PHE 102 HZ PHE 102 22.069 5.189 13.282 802 H ARG 103 H ARG 103 28.797 8.386 11.996 803 HA ARG 103 HA ARG 103 28.901 5.576 12.287 804 HB2 ARG 103 1HB ARG 103 29.705 6.884 10.298 805 HB3 ARG 103 2HB ARG 103 31.095 7.377 11.256 806 HG2 ARG 103 1HG ARG 103 31.814 5.077 11.460 807 HG3 ARG 103 2HG ARG 103 30.379 4.529 10.592 808 HD2 ARG 103 1HD ARG 103 32.125 4.542 9.006 809 HD3 ARG 103 2HD ARG 103 31.156 5.975 8.667 810 HE ARG 103 HE ARG 103 32.958 7.277 9.210 811 HH11 ARG 103 2HH1 ARG 103 33.488 4.046 10.392 812 HH12 ARG 103 1HH1 ARG 103 35.130 4.345 10.857 813 HH21 ARG 103 2HH2 ARG 103 35.118 7.684 9.818 814 HH22 ARG 103 1HH2 ARG 103 36.056 6.415 10.531 815 H ALA 104 H ALA 104 30.668 8.218 13.793 816 HA ALA 104 HA ALA 104 32.668 6.667 15.041 817 HB1 ALA 104 1HB ALA 104 31.516 9.345 15.808 818 HB2 ALA 104 2HB ALA 104 32.966 8.632 16.515 819 HB3 ALA 104 3HB ALA 104 32.934 9.049 14.802 820 H GLY 105 H GLY 105 29.378 7.488 15.944 821 HA2 GLY 105 1HA GLY 105 28.031 6.284 17.430 822 HA3 GLY 105 2HA GLY 105 29.463 5.455 18.022 823 H CYS 106 H CYS 106 30.493 8.469 18.092 824 HA CYS 106 HA CYS 106 30.147 8.739 20.907 825 HB2 CYS 106 1HB CYS 106 32.183 9.498 19.736 826 HB3 CYS 106 2HB CYS 106 31.238 10.728 18.906 827 HG CYS 106 HG CYS 106 30.600 12.122 21.259 828 H GLU 107 H GLU 107 28.665 9.836 22.032 829 HA GLU 107 HA GLU 107 26.324 10.804 20.818 830 HB2 GLU 107 1HB GLU 107 26.815 10.013 23.276 831 HB3 GLU 107 2HB GLU 107 27.141 11.719 23.548 832 HG2 GLU 107 1HG GLU 107 24.955 12.339 23.155 833 HG3 GLU 107 2HG GLU 107 24.600 10.883 22.227 Start of MODEL 12 1 H1 MET 1 H MET 1 0.437 -2.942 -0.806 2 HA MET 1 HA MET 1 1.565 -0.590 -2.175 3 HB2 MET 1 1HB MET 1 3.016 -2.349 -0.822 4 HB3 MET 1 2HB MET 1 2.888 -3.261 -2.320 5 HG2 MET 1 1HG MET 1 4.797 -2.127 -2.753 6 HG3 MET 1 2HG MET 1 3.634 -0.953 -3.365 7 HE1 MET 1 3HE MET 1 6.384 -0.230 -2.951 8 HE2 MET 1 1HE MET 1 5.496 1.294 -2.953 9 HE3 MET 1 2HE MET 1 6.672 0.962 -1.682 10 H ASP 2 H ASP 2 1.180 -0.352 -4.283 11 HA ASP 2 HA ASP 2 -0.491 -2.257 -5.645 12 HB2 ASP 2 1HB ASP 2 -0.484 0.353 -5.819 13 HB3 ASP 2 2HB ASP 2 0.791 0.088 -7.005 14 H ASN 3 H ASN 3 0.013 -3.491 -7.439 15 HA ASN 3 HA ASN 3 2.579 -4.602 -7.562 16 HB2 ASN 3 1HB ASN 3 0.228 -4.693 -9.445 17 HB3 ASN 3 2HB ASN 3 1.730 -5.543 -9.798 18 HD21 ASN 3 2HD2 ASN 3 1.489 -7.611 -9.392 19 HD22 ASN 3 1HD2 ASN 3 0.698 -8.296 -8.016 20 H ARG 4 H ARG 4 1.038 -2.096 -9.514 21 HA ARG 4 HA ARG 4 3.062 -1.866 -11.461 22 HB2 ARG 4 1HB ARG 4 0.892 -0.034 -10.485 23 HB3 ARG 4 2HB ARG 4 2.076 0.531 -11.656 24 HG2 ARG 4 1HG ARG 4 0.399 -0.181 -13.038 25 HG3 ARG 4 2HG ARG 4 1.392 -1.637 -12.947 26 HD2 ARG 4 1HD ARG 4 -0.070 -2.526 -11.200 27 HD3 ARG 4 2HD ARG 4 -1.056 -1.066 -11.280 28 HE ARG 4 HE ARG 4 -0.993 -2.106 -13.840 29 HH11 ARG 4 2HH1 ARG 4 -2.072 -3.124 -10.690 30 HH12 ARG 4 1HH1 ARG 4 -3.343 -4.128 -11.306 31 HH21 ARG 4 2HH2 ARG 4 -2.663 -3.423 -14.663 32 HH22 ARG 4 1HH2 ARG 4 -3.678 -4.298 -13.566 33 H VAL 5 H VAL 5 2.503 -0.112 -8.424 34 HA VAL 5 HA VAL 5 4.606 1.707 -8.610 35 HB VAL 5 HB VAL 5 3.490 0.427 -6.110 36 HG11 VAL 5 1HG1 VAL 5 5.684 2.193 -6.469 37 HG12 VAL 5 2HG1 VAL 5 4.376 3.091 -5.696 38 HG13 VAL 5 3HG1 VAL 5 4.980 1.604 -4.964 39 HG21 VAL 5 3HG2 VAL 5 1.890 1.633 -7.687 40 HG22 VAL 5 1HG2 VAL 5 1.924 2.178 -6.010 41 HG23 VAL 5 2HG2 VAL 5 2.756 3.107 -7.257 42 H ARG 6 H ARG 6 4.560 -1.624 -7.448 43 HA ARG 6 HA ARG 6 7.076 -1.757 -6.281 44 HB2 ARG 6 1HB ARG 6 5.165 -3.530 -6.469 45 HB3 ARG 6 2HB ARG 6 6.027 -4.040 -7.915 46 HG2 ARG 6 1HG ARG 6 7.015 -5.412 -6.409 47 HG3 ARG 6 2HG ARG 6 8.083 -4.016 -6.244 48 HD2 ARG 6 1HD ARG 6 6.898 -3.273 -4.290 49 HD3 ARG 6 2HD ARG 6 5.674 -4.523 -4.506 50 HE ARG 6 HE ARG 6 7.997 -5.915 -4.273 51 HH11 ARG 6 2HH1 ARG 6 6.406 -3.497 -2.339 52 HH12 ARG 6 1HH1 ARG 6 7.041 -4.091 -0.841 53 HH21 ARG 6 2HH2 ARG 6 8.839 -6.707 -2.307 54 HH22 ARG 6 1HH2 ARG 6 8.425 -5.916 -0.823 55 H GLU 7 H GLU 7 6.151 -2.255 -9.672 56 HA GLU 7 HA GLU 7 8.731 -2.912 -10.605 57 HB2 GLU 7 1HB GLU 7 6.165 -2.068 -11.850 58 HB3 GLU 7 2HB GLU 7 7.622 -1.913 -12.821 59 HG2 GLU 7 1HG GLU 7 6.575 -4.429 -11.548 60 HG3 GLU 7 2HG GLU 7 6.551 -4.023 -13.263 61 H ALA 8 H ALA 8 7.071 0.146 -10.143 62 HA ALA 8 HA ALA 8 8.772 1.823 -11.590 63 HB1 ALA 8 1HB ALA 8 6.598 2.516 -10.666 64 HB2 ALA 8 2HB ALA 8 7.294 2.485 -9.045 65 HB3 ALA 8 3HB ALA 8 7.896 3.633 -10.242 66 H CYS 9 H CYS 9 9.055 0.506 -8.339 67 HA CYS 9 HA CYS 9 11.162 2.099 -7.413 68 HB2 CYS 9 1HB CYS 9 9.936 0.709 -5.877 69 HB3 CYS 9 2HB CYS 9 10.402 -0.749 -6.746 70 HG CYS 9 HG CYS 9 11.720 -0.332 -4.174 71 H GLN 10 H GLN 10 11.130 -0.750 -9.456 72 HA GLN 10 HA GLN 10 13.868 -1.375 -9.339 73 HB2 GLN 10 1HB GLN 10 11.963 -1.792 -11.649 74 HB3 GLN 10 2HB GLN 10 13.495 -2.622 -11.405 75 HG2 GLN 10 1HG GLN 10 11.362 -2.782 -9.323 76 HG3 GLN 10 2HG GLN 10 11.272 -3.790 -10.767 77 HE21 GLN 10 2HE2 GLN 10 13.623 -4.715 -11.266 78 HE22 GLN 10 1HE2 GLN 10 14.328 -5.546 -9.925 79 H TYR 11 H TYR 11 12.040 0.667 -11.598 80 HA TYR 11 HA TYR 11 14.299 1.394 -13.159 81 HB2 TYR 11 1HB TYR 11 12.133 1.583 -14.155 82 HB3 TYR 11 2HB TYR 11 11.557 2.622 -12.856 83 HD1 TYR 11 HD2 TYR 11 14.515 2.656 -15.152 84 HD2 TYR 11 HD1 TYR 11 11.194 4.782 -13.555 85 HE1 TYR 11 HE2 TYR 11 15.164 4.638 -16.456 86 HE2 TYR 11 HE1 TYR 11 11.833 6.769 -14.856 87 HH TYR 11 HH TYR 11 14.564 7.430 -15.983 88 H ILE 12 H ILE 12 12.522 3.043 -10.562 89 HA ILE 12 HA ILE 12 14.040 5.401 -10.540 90 HB ILE 12 HB ILE 12 12.600 4.086 -8.233 91 HG12 ILE 12 1HG1 ILE 12 11.616 6.343 -9.974 92 HG13 ILE 12 2HG1 ILE 12 11.281 4.657 -10.349 93 HG21 ILE 12 1HG2 ILE 12 14.066 6.626 -8.511 94 HG22 ILE 12 2HG2 ILE 12 12.494 6.726 -7.718 95 HG23 ILE 12 3HG2 ILE 12 13.738 5.653 -7.077 96 HD11 ILE 12 3HD1 ILE 12 10.385 6.234 -7.959 97 HD12 ILE 12 1HD1 ILE 12 9.394 5.487 -9.212 98 HD13 ILE 12 2HD1 ILE 12 10.261 4.477 -8.055 99 H SER 13 H SER 13 14.502 2.308 -8.915 100 HA SER 13 HA SER 13 16.622 3.125 -7.229 101 HB2 SER 13 1HB SER 13 15.701 0.441 -8.241 102 HB3 SER 13 2HB SER 13 17.129 0.599 -7.218 103 HG SER 13 HG SER 13 15.644 0.429 -5.709 104 H ASP 14 H ASP 14 16.558 1.609 -10.433 105 HA ASP 14 HA ASP 14 19.363 1.367 -10.704 106 HB2 ASP 14 1HB ASP 14 17.073 1.348 -12.652 107 HB3 ASP 14 2HB ASP 14 18.740 1.286 -13.217 108 H HIS 15 H HIS 15 17.068 3.898 -11.577 109 HA HIS 15 HA HIS 15 19.220 5.536 -12.680 110 HB2 HIS 15 1HB HIS 15 16.244 5.598 -12.802 111 HB3 HIS 15 2HB HIS 15 17.103 7.127 -12.963 112 HD1 HIS 15 HD1 HIS 15 17.271 7.689 -15.356 113 HD2 HIS 15 HD2 HIS 15 17.771 3.617 -14.698 114 HE1 HIS 15 HE1 HIS 15 17.739 6.694 -17.618 115 H LEU 16 H LEU 16 18.676 4.865 -9.737 116 HA LEU 16 HA LEU 16 17.866 7.203 -8.405 117 HB2 LEU 16 1HB LEU 16 18.046 4.952 -7.382 118 HB3 LEU 16 2HB LEU 16 19.801 5.104 -7.436 119 HG LEU 16 HG LEU 16 19.169 7.328 -6.041 120 HD11 LEU 16 1HD1 LEU 16 17.389 5.529 -4.598 121 HD12 LEU 16 2HD1 LEU 16 16.741 6.058 -6.150 122 HD13 LEU 16 3HD1 LEU 16 17.227 7.251 -4.946 123 HD21 LEU 16 3HD2 LEU 16 20.285 6.311 -4.358 124 HD22 LEU 16 1HD2 LEU 16 20.594 5.099 -5.601 125 HD23 LEU 16 2HD2 LEU 16 19.296 4.852 -4.434 126 H ALA 17 H ALA 17 20.850 6.319 -9.916 127 HA ALA 17 HA ALA 17 22.327 8.472 -8.620 128 HB1 ALA 17 1HB ALA 17 23.971 7.441 -10.574 129 HB2 ALA 17 2HB ALA 17 23.942 6.955 -8.878 130 HB3 ALA 17 3HB ALA 17 23.014 6.047 -10.072 131 H ASP 18 H ASP 18 20.551 7.872 -11.497 132 HA ASP 18 HA ASP 18 21.798 9.675 -13.259 133 HB2 ASP 18 1HB ASP 18 19.881 7.885 -13.616 134 HB3 ASP 18 2HB ASP 18 18.838 9.280 -13.358 135 H SER 19 H SER 19 21.573 11.830 -13.618 136 HA SER 19 HA SER 19 20.504 13.410 -11.463 137 HB2 SER 19 1HB SER 19 21.518 14.543 -14.058 138 HB3 SER 19 2HB SER 19 21.603 15.238 -12.439 139 HG SER 19 HG SER 19 23.465 13.879 -13.646 140 H ASN 20 H ASN 20 19.845 13.146 -14.953 141 HA ASN 20 HA ASN 20 17.502 14.804 -14.765 142 HB2 ASN 20 1HB ASN 20 18.267 13.033 -17.087 143 HB3 ASN 20 2HB ASN 20 17.282 14.493 -17.117 144 HD21 ASN 20 2HD2 ASN 20 18.248 16.456 -17.240 145 HD22 ASN 20 1HD2 ASN 20 19.952 16.679 -17.420 146 H PHE 21 H PHE 21 15.775 14.032 -13.731 147 HA PHE 21 HA PHE 21 14.951 11.257 -14.279 148 HB2 PHE 21 1HB PHE 21 15.569 11.763 -11.904 149 HB3 PHE 21 2HB PHE 21 14.240 12.917 -11.855 150 HD1 PHE 21 HD2 PHE 21 14.624 9.424 -13.118 151 HD2 PHE 21 HD1 PHE 21 12.477 12.129 -10.630 152 HE1 PHE 21 HE2 PHE 21 13.082 7.613 -12.484 153 HE2 PHE 21 HE1 PHE 21 10.933 10.323 -9.992 154 HZ PHE 21 HZ PHE 21 11.234 8.062 -10.921 155 H ASP 22 H ASP 22 13.105 10.973 -15.338 156 HA ASP 22 HA ASP 22 11.225 13.238 -15.493 157 HB2 ASP 22 1HB ASP 22 12.430 12.588 -17.627 158 HB3 ASP 22 2HB ASP 22 11.545 11.066 -17.566 159 H ILE 23 H ILE 23 9.478 12.872 -14.306 160 HA ILE 23 HA ILE 23 8.686 10.444 -13.223 161 HB ILE 23 HB ILE 23 7.900 12.693 -12.471 162 HG12 ILE 23 1HG1 ILE 23 5.530 11.918 -11.995 163 HG13 ILE 23 2HG1 ILE 23 5.868 10.526 -13.017 164 HG21 ILE 23 1HG2 ILE 23 7.341 13.525 -14.746 165 HG22 ILE 23 2HG2 ILE 23 5.936 12.459 -14.745 166 HG23 ILE 23 3HG2 ILE 23 6.052 13.766 -13.566 167 HD11 ILE 23 3HD1 ILE 23 6.366 10.808 -10.283 168 HD12 ILE 23 1HD1 ILE 23 6.845 9.478 -11.336 169 HD13 ILE 23 2HD1 ILE 23 7.944 10.832 -11.070 170 H ALA 24 H ALA 24 8.029 11.812 -16.354 171 HA ALA 24 HA ALA 24 5.789 10.300 -17.090 172 HB1 ALA 24 1HB ALA 24 6.165 11.973 -18.590 173 HB2 ALA 24 2HB ALA 24 7.916 11.762 -18.559 174 HB3 ALA 24 3HB ALA 24 6.907 10.634 -19.465 175 H SER 25 H SER 25 9.250 9.601 -17.360 176 HA SER 25 HA SER 25 9.014 7.201 -18.808 177 HB2 SER 25 1HB SER 25 11.140 8.370 -17.039 178 HB3 SER 25 2HB SER 25 11.305 6.724 -17.650 179 HG SER 25 HG SER 25 11.941 8.910 -18.902 180 H VAL 26 H VAL 26 8.664 7.939 -15.422 181 HA VAL 26 HA VAL 26 8.885 5.275 -14.449 182 HB VAL 26 HB VAL 26 7.489 7.653 -13.212 183 HG11 VAL 26 1HG1 VAL 26 8.393 5.057 -11.969 184 HG12 VAL 26 2HG1 VAL 26 7.707 6.433 -11.103 185 HG13 VAL 26 3HG1 VAL 26 6.723 5.540 -12.262 186 HG21 VAL 26 3HG2 VAL 26 10.184 7.310 -13.730 187 HG22 VAL 26 1HG2 VAL 26 9.478 8.420 -12.554 188 HG23 VAL 26 2HG2 VAL 26 10.013 6.818 -12.045 189 H ALA 27 H ALA 27 6.183 7.289 -15.500 190 HA ALA 27 HA ALA 27 4.125 5.512 -14.710 191 HB1 ALA 27 1HB ALA 27 4.282 8.063 -15.859 192 HB2 ALA 27 2HB ALA 27 3.367 7.073 -16.996 193 HB3 ALA 27 3HB ALA 27 2.834 7.211 -15.321 194 H GLN 28 H GLN 28 5.707 6.073 -17.849 195 HA GLN 28 HA GLN 28 4.260 4.145 -19.289 196 HB2 GLN 28 1HB GLN 28 6.052 4.297 -20.950 197 HB3 GLN 28 2HB GLN 28 5.579 5.892 -20.381 198 HG2 GLN 28 1HG GLN 28 7.526 5.883 -18.860 199 HG3 GLN 28 2HG GLN 28 8.019 4.339 -19.552 200 HE21 GLN 28 2HE2 GLN 28 9.160 4.322 -21.391 201 HE22 GLN 28 1HE2 GLN 28 9.553 5.723 -22.322 202 H HIS 29 H HIS 29 7.190 3.921 -17.355 203 HA HIS 29 HA HIS 29 8.049 1.380 -18.115 204 HB2 HIS 29 1HB HIS 29 9.508 2.692 -16.777 205 HB3 HIS 29 2HB HIS 29 8.295 2.889 -15.515 206 HD1 HIS 29 HD1 HIS 29 9.330 -0.397 -17.081 207 HD2 HIS 29 HD2 HIS 29 9.589 1.626 -13.461 208 HE1 HIS 29 HE1 HIS 29 10.278 -2.059 -15.448 209 H VAL 30 H VAL 30 5.538 2.373 -15.876 210 HA VAL 30 HA VAL 30 5.019 -0.422 -15.160 211 HB VAL 30 HB VAL 30 3.463 0.499 -13.473 212 HG11 VAL 30 1HG1 VAL 30 5.199 1.529 -12.023 213 HG12 VAL 30 2HG1 VAL 30 5.718 0.027 -12.792 214 HG13 VAL 30 3HG1 VAL 30 6.277 1.579 -13.418 215 HG21 VAL 30 3HG2 VAL 30 3.153 2.787 -13.113 216 HG22 VAL 30 1HG2 VAL 30 4.544 3.225 -14.106 217 HG23 VAL 30 2HG2 VAL 30 3.072 2.621 -14.867 218 H CYS 31 H CYS 31 4.335 1.080 -17.748 219 HA CYS 31 HA CYS 31 2.625 1.215 -19.247 220 HB2 CYS 31 1HB CYS 31 1.699 -1.187 -17.660 221 HB3 CYS 31 2HB CYS 31 1.047 -0.711 -19.223 222 HG CYS 31 HG CYS 31 3.569 -1.021 -20.520 223 H LEU 32 H LEU 32 2.358 2.889 -16.962 224 HA LEU 32 HA LEU 32 -0.561 3.182 -16.939 225 HB2 LEU 32 1HB LEU 32 1.088 2.506 -14.700 226 HB3 LEU 32 2HB LEU 32 0.390 4.105 -14.450 227 HG LEU 32 HG LEU 32 -0.899 2.178 -13.473 228 HD11 LEU 32 1HD1 LEU 32 -1.920 4.353 -13.849 229 HD12 LEU 32 2HD1 LEU 32 -3.072 3.058 -14.174 230 HD13 LEU 32 3HD1 LEU 32 -2.297 3.904 -15.513 231 HD21 LEU 32 3HD2 LEU 32 -2.025 0.653 -14.803 232 HD22 LEU 32 1HD2 LEU 32 -0.467 0.789 -15.618 233 HD23 LEU 32 2HD2 LEU 32 -1.871 1.647 -16.253 234 H SER 33 H SER 33 -1.239 5.378 -16.221 235 HA SER 33 HA SER 33 0.370 7.353 -17.565 236 HB2 SER 33 1HB SER 33 -1.745 8.671 -16.289 237 HB3 SER 33 2HB SER 33 -1.696 8.133 -17.967 238 HG SER 33 HG SER 33 -3.272 6.870 -17.410 239 HA PRO 34 HA PRO 34 2.407 9.217 -14.157 240 HB2 PRO 34 1HB PRO 34 2.256 11.859 -14.764 241 HB3 PRO 34 2HB PRO 34 3.296 10.730 -15.640 242 HG2 PRO 34 1HG PRO 34 0.595 11.786 -16.384 243 HG3 PRO 34 2HG PRO 34 2.030 11.568 -17.402 244 HD2 PRO 34 1HD PRO 34 -0.032 9.813 -17.397 245 HD3 PRO 34 2HD PRO 34 1.647 9.312 -17.677 246 H SER 35 H SER 35 -0.688 10.748 -14.989 247 HA SER 35 HA SER 35 -1.056 12.024 -12.486 248 HB2 SER 35 1HB SER 35 -3.128 11.212 -14.539 249 HB3 SER 35 2HB SER 35 -3.376 12.360 -13.223 250 HG SER 35 HG SER 35 -2.884 13.538 -15.032 251 H ARG 36 H ARG 36 -2.204 8.948 -13.819 252 HA ARG 36 HA ARG 36 -3.721 8.243 -11.509 253 HB2 ARG 36 1HB ARG 36 -3.609 7.322 -14.076 254 HB3 ARG 36 2HB ARG 36 -2.750 6.050 -13.217 255 HG2 ARG 36 1HG ARG 36 -5.363 6.997 -12.151 256 HG3 ARG 36 2HG ARG 36 -5.340 5.933 -13.559 257 HD2 ARG 36 1HD ARG 36 -3.703 4.520 -12.084 258 HD3 ARG 36 2HD ARG 36 -4.459 5.402 -10.757 259 HE ARG 36 HE ARG 36 -5.624 3.305 -12.324 260 HH11 ARG 36 2HH1 ARG 36 -6.302 6.137 -10.416 261 HH12 ARG 36 1HH1 ARG 36 -7.912 5.639 -10.012 262 HH21 ARG 36 2HH2 ARG 36 -7.742 2.639 -11.799 263 HH22 ARG 36 1HH2 ARG 36 -8.730 3.649 -10.799 264 H LEU 37 H LEU 37 -0.514 7.339 -12.728 265 HA LEU 37 HA LEU 37 0.111 5.499 -10.693 266 HB2 LEU 37 1HB LEU 37 1.374 5.521 -12.724 267 HB3 LEU 37 2HB LEU 37 1.861 7.195 -12.462 268 HG LEU 37 HG LEU 37 3.056 6.291 -10.364 269 HD11 LEU 37 1HD1 LEU 37 2.554 4.134 -9.979 270 HD12 LEU 37 2HD1 LEU 37 3.823 3.830 -11.165 271 HD13 LEU 37 3HD1 LEU 37 2.131 3.820 -11.662 272 HD21 LEU 37 3HD2 LEU 37 3.889 6.858 -12.878 273 HD22 LEU 37 1HD2 LEU 37 4.433 5.188 -12.713 274 HD23 LEU 37 2HD2 LEU 37 4.962 6.406 -11.551 275 H SER 38 H SER 38 0.750 8.972 -11.003 276 HA SER 38 HA SER 38 2.282 9.289 -8.683 277 HB2 SER 38 1HB SER 38 2.241 11.083 -10.252 278 HB3 SER 38 2HB SER 38 0.483 11.200 -10.178 279 HG SER 38 HG SER 38 1.490 12.832 -8.939 280 H HIS 39 H HIS 39 -1.208 9.303 -9.178 281 HA HIS 39 HA HIS 39 -1.991 10.217 -6.652 282 HB2 HIS 39 1HB HIS 39 -3.514 9.980 -8.595 283 HB3 HIS 39 2HB HIS 39 -3.436 8.230 -8.418 284 HD1 HIS 39 HD1 HIS 39 -5.271 11.161 -7.280 285 HD2 HIS 39 HD2 HIS 39 -4.591 7.303 -5.896 286 HE1 HIS 39 HE1 HIS 39 -7.040 10.749 -5.541 287 H LEU 40 H LEU 40 -1.509 6.893 -7.824 288 HA LEU 40 HA LEU 40 -2.074 5.692 -5.303 289 HB2 LEU 40 1HB LEU 40 -0.488 4.500 -7.567 290 HB3 LEU 40 2HB LEU 40 -1.359 3.642 -6.297 291 HG LEU 40 HG LEU 40 -2.626 5.269 -8.501 292 HD11 LEU 40 1HD1 LEU 40 -3.332 2.514 -8.529 293 HD12 LEU 40 2HD1 LEU 40 -1.574 2.644 -8.522 294 HD13 LEU 40 3HD1 LEU 40 -2.513 3.460 -9.772 295 HD21 LEU 40 3HD2 LEU 40 -4.696 4.078 -7.658 296 HD22 LEU 40 1HD2 LEU 40 -4.060 5.363 -6.631 297 HD23 LEU 40 2HD2 LEU 40 -3.761 3.674 -6.218 298 H PHE 41 H PHE 41 0.819 6.871 -6.875 299 HA PHE 41 HA PHE 41 2.707 5.622 -5.180 300 HB2 PHE 41 1HB PHE 41 2.825 7.201 -7.448 301 HB3 PHE 41 2HB PHE 41 3.523 8.234 -6.206 302 HD1 PHE 41 HD1 PHE 41 5.565 7.574 -5.042 303 HD2 PHE 41 HD2 PHE 41 3.939 5.218 -8.192 304 HE1 PHE 41 HE1 PHE 41 7.702 6.370 -5.241 305 HE2 PHE 41 HE2 PHE 41 6.072 4.010 -8.395 306 HZ PHE 41 HZ PHE 41 7.957 4.585 -6.918 307 H ARG 42 H ARG 42 1.361 8.920 -5.167 308 HA ARG 42 HA ARG 42 2.646 9.665 -2.741 309 HB2 ARG 42 1HB ARG 42 2.004 11.393 -4.272 310 HB3 ARG 42 2HB ARG 42 0.329 10.859 -4.262 311 HG2 ARG 42 1HG ARG 42 -0.127 11.860 -2.272 312 HG3 ARG 42 2HG ARG 42 1.525 11.682 -1.678 313 HD2 ARG 42 1HD ARG 42 1.150 14.002 -2.061 314 HD3 ARG 42 2HD ARG 42 2.216 13.421 -3.340 315 HE ARG 42 HE ARG 42 -0.305 13.209 -4.380 316 HH11 ARG 42 2HH1 ARG 42 1.608 15.780 -3.019 317 HH12 ARG 42 1HH1 ARG 42 0.865 17.017 -3.977 318 HH21 ARG 42 2HH2 ARG 42 -1.291 14.828 -5.648 319 HH22 ARG 42 1HH2 ARG 42 -0.785 16.475 -5.472 320 H GLN 43 H GLN 43 -0.326 8.052 -3.511 321 HA GLN 43 HA GLN 43 -1.553 8.483 -0.949 322 HB2 GLN 43 1HB GLN 43 -2.873 8.098 -3.009 323 HB3 GLN 43 2HB GLN 43 -2.235 6.462 -3.091 324 HG2 GLN 43 1HG GLN 43 -3.574 7.277 -0.580 325 HG3 GLN 43 2HG GLN 43 -4.585 7.031 -2.003 326 HE21 GLN 43 2HE2 GLN 43 -5.361 5.351 -0.378 327 HE22 GLN 43 1HE2 GLN 43 -4.637 3.787 -0.500 328 H GLN 44 H GLN 44 0.214 5.850 -2.517 329 HA GLN 44 HA GLN 44 -0.038 4.113 -0.231 330 HB2 GLN 44 1HB GLN 44 1.567 3.908 -2.780 331 HB3 GLN 44 2HB GLN 44 1.572 2.672 -1.529 332 HG2 GLN 44 1HG GLN 44 -0.919 3.610 -2.926 333 HG3 GLN 44 2HG GLN 44 0.050 2.239 -3.464 334 HE21 GLN 44 2HE2 GLN 44 -2.647 2.071 -2.730 335 HE22 GLN 44 1HE2 GLN 44 -2.765 1.088 -1.314 336 H LEU 45 H LEU 45 2.445 6.186 -1.637 337 HA LEU 45 HA LEU 45 4.362 5.449 0.418 338 HB2 LEU 45 1HB LEU 45 4.573 7.501 -1.780 339 HB3 LEU 45 2HB LEU 45 5.888 6.940 -0.750 340 HG LEU 45 HG LEU 45 4.637 5.658 -3.111 341 HD11 LEU 45 1HD1 LEU 45 6.930 5.001 -3.539 342 HD12 LEU 45 2HD1 LEU 45 7.424 5.612 -1.961 343 HD13 LEU 45 3HD1 LEU 45 6.845 6.729 -3.196 344 HD21 LEU 45 3HD2 LEU 45 5.498 4.183 -0.648 345 HD22 LEU 45 1HD2 LEU 45 5.661 3.459 -2.247 346 HD23 LEU 45 2HD2 LEU 45 4.070 3.934 -1.654 347 H GLY 46 H GLY 46 1.919 7.770 -0.072 348 HA2 GLY 46 1HA GLY 46 1.182 9.497 1.252 349 HA3 GLY 46 2HA GLY 46 2.309 8.939 2.479 350 H ILE 47 H ILE 47 3.890 9.521 -0.425 351 HA ILE 47 HA ILE 47 4.344 12.350 0.061 352 HB ILE 47 HB ILE 47 6.749 12.165 0.251 353 HG12 ILE 47 1HG1 ILE 47 6.305 9.172 0.222 354 HG13 ILE 47 2HG1 ILE 47 7.054 10.112 -1.063 355 HG21 ILE 47 1HG2 ILE 47 5.379 12.109 2.300 356 HG22 ILE 47 2HG2 ILE 47 5.417 10.347 2.252 357 HG23 ILE 47 3HG2 ILE 47 6.910 11.255 2.486 358 HD11 ILE 47 3HD1 ILE 47 8.910 10.662 0.362 359 HD12 ILE 47 1HD1 ILE 47 8.138 9.864 1.732 360 HD13 ILE 47 2HD1 ILE 47 8.677 8.914 0.346 361 H SER 48 H SER 48 6.003 13.204 -1.580 362 HA SER 48 HA SER 48 5.125 12.371 -4.183 363 HB2 SER 48 1HB SER 48 7.222 14.420 -3.423 364 HB3 SER 48 2HB SER 48 6.476 14.237 -5.011 365 HG SER 48 HG SER 48 5.593 15.622 -2.912 366 H VAL 49 H VAL 49 6.499 11.721 -5.924 367 HA VAL 49 HA VAL 49 8.186 9.594 -5.370 368 HB VAL 49 HB VAL 49 8.315 11.319 -7.846 369 HG11 VAL 49 1HG1 VAL 49 8.985 8.408 -7.423 370 HG12 VAL 49 2HG1 VAL 49 9.092 9.292 -8.946 371 HG13 VAL 49 3HG1 VAL 49 10.155 9.714 -7.603 372 HG21 VAL 49 3HG2 VAL 49 6.775 9.017 -8.317 373 HG22 VAL 49 1HG2 VAL 49 6.171 9.719 -6.816 374 HG23 VAL 49 2HG2 VAL 49 6.228 10.693 -8.285 375 H LEU 50 H LEU 50 9.010 12.974 -6.049 376 HA LEU 50 HA LEU 50 11.799 12.671 -6.076 377 HB2 LEU 50 1HB LEU 50 9.923 14.939 -5.648 378 HB3 LEU 50 2HB LEU 50 11.621 15.171 -5.240 379 HG LEU 50 HG LEU 50 12.273 14.726 -7.524 380 HD11 LEU 50 1HD1 LEU 50 10.894 13.175 -8.464 381 HD12 LEU 50 2HD1 LEU 50 10.208 14.638 -9.170 382 HD13 LEU 50 3HD1 LEU 50 9.435 13.886 -7.774 383 HD21 LEU 50 3HD2 LEU 50 10.738 16.571 -8.623 384 HD22 LEU 50 1HD2 LEU 50 11.914 16.976 -7.372 385 HD23 LEU 50 2HD2 LEU 50 10.210 16.791 -6.954 386 H SER 51 H SER 51 9.521 13.151 -3.442 387 HA SER 51 HA SER 51 11.506 13.602 -1.441 388 HB2 SER 51 1HB SER 51 9.359 14.451 -0.938 389 HB3 SER 51 2HB SER 51 8.569 12.928 -1.346 390 HG SER 51 HG SER 51 8.869 13.433 0.968 391 H TRP 52 H TRP 52 9.599 10.787 -2.444 392 HA TRP 52 HA TRP 52 10.496 8.996 -0.495 393 HB2 TRP 52 1HB TRP 52 8.590 8.500 -1.935 394 HB3 TRP 52 2HB TRP 52 9.644 8.447 -3.346 395 HD1 TRP 52 HD1 TRP 52 9.481 6.585 0.070 396 HE1 TRP 52 HE1 TRP 52 10.001 4.103 -0.367 397 HE3 TRP 52 HE3 TRP 52 10.303 6.804 -4.971 398 HZ2 TRP 52 HZ2 TRP 52 10.671 2.455 -2.559 399 HZ3 TRP 52 HZ3 TRP 52 10.879 4.730 -6.163 400 HH2 TRP 52 HH2 TRP 52 11.060 2.602 -4.980 401 H ARG 53 H ARG 53 11.852 9.846 -3.646 402 HA ARG 53 HA ARG 53 13.853 7.906 -3.785 403 HB2 ARG 53 1HB ARG 53 13.049 9.797 -5.470 404 HB3 ARG 53 2HB ARG 53 14.427 10.652 -4.791 405 HG2 ARG 53 1HG ARG 53 15.827 8.651 -5.375 406 HG3 ARG 53 2HG ARG 53 14.432 8.032 -6.261 407 HD2 ARG 53 1HD ARG 53 15.868 9.157 -7.812 408 HD3 ARG 53 2HD ARG 53 14.421 10.139 -7.586 409 HE ARG 53 HE ARG 53 16.372 11.016 -5.784 410 HH11 ARG 53 2HH1 ARG 53 15.778 10.926 -9.213 411 HH12 ARG 53 1HH1 ARG 53 16.699 12.357 -9.542 412 HH21 ARG 53 2HH2 ARG 53 17.587 12.900 -6.204 413 HH22 ARG 53 1HH2 ARG 53 17.728 13.478 -7.830 414 H GLU 54 H GLU 54 13.952 11.177 -2.398 415 HA GLU 54 HA GLU 54 16.633 11.207 -1.643 416 HB2 GLU 54 1HB GLU 54 14.861 13.091 -1.578 417 HB3 GLU 54 2HB GLU 54 14.485 12.482 0.027 418 HG2 GLU 54 1HG GLU 54 16.495 13.149 0.906 419 HG3 GLU 54 2HG GLU 54 17.313 13.111 -0.655 420 H ASP 55 H ASP 55 13.786 10.123 0.181 421 HA ASP 55 HA ASP 55 15.025 9.496 2.584 422 HB2 ASP 55 1HB ASP 55 12.511 9.434 1.896 423 HB3 ASP 55 2HB ASP 55 12.844 7.756 1.476 424 H GLN 56 H GLN 56 14.696 7.550 -0.350 425 HA GLN 56 HA GLN 56 15.877 5.208 0.746 426 HB2 GLN 56 1HB GLN 56 14.501 5.776 -1.546 427 HB3 GLN 56 2HB GLN 56 16.141 5.599 -2.157 428 HG2 GLN 56 1HG GLN 56 14.871 3.508 -2.252 429 HG3 GLN 56 2HG GLN 56 16.298 3.384 -1.225 430 HE21 GLN 56 2HE2 GLN 56 12.811 3.911 -1.152 431 HE22 GLN 56 1HE2 GLN 56 12.555 3.203 0.403 432 H ARG 57 H ARG 57 17.123 7.931 -1.132 433 HA ARG 57 HA ARG 57 19.697 6.969 -1.615 434 HB2 ARG 57 1HB ARG 57 18.646 9.773 -1.254 435 HB3 ARG 57 2HB ARG 57 20.317 9.437 -1.690 436 HG2 ARG 57 1HG ARG 57 19.794 8.858 -3.807 437 HG3 ARG 57 2HG ARG 57 18.251 8.136 -3.345 438 HD2 ARG 57 1HD ARG 57 18.169 10.266 -4.740 439 HD3 ARG 57 2HD ARG 57 17.167 10.213 -3.290 440 HE ARG 57 HE ARG 57 19.754 11.378 -2.852 441 HH11 ARG 57 2HH1 ARG 57 16.491 11.984 -3.901 442 HH12 ARG 57 1HH1 ARG 57 16.544 13.674 -3.522 443 HH21 ARG 57 2HH2 ARG 57 19.837 13.602 -2.350 444 HH22 ARG 57 1HH2 ARG 57 18.448 14.593 -2.641 445 H ILE 58 H ILE 58 18.459 8.872 1.117 446 HA ILE 58 HA ILE 58 20.959 8.976 2.478 447 HB ILE 58 HB ILE 58 18.193 9.346 3.633 448 HG12 ILE 58 1HG1 ILE 58 18.600 10.855 1.733 449 HG13 ILE 58 2HG1 ILE 58 18.549 11.742 3.253 450 HG21 ILE 58 1HG2 ILE 58 19.760 9.034 5.391 451 HG22 ILE 58 2HG2 ILE 58 20.936 10.095 4.618 452 HG23 ILE 58 3HG2 ILE 58 19.447 10.766 5.284 453 HD11 ILE 58 3HD1 ILE 58 21.238 10.995 2.755 454 HD12 ILE 58 1HD1 ILE 58 20.578 11.719 1.289 455 HD13 ILE 58 2HD1 ILE 58 20.529 12.608 2.811 456 H SER 59 H SER 59 18.045 6.983 2.852 457 HA SER 59 HA SER 59 18.863 5.528 5.095 458 HB2 SER 59 1HB SER 59 16.573 5.400 4.419 459 HB3 SER 59 2HB SER 59 17.012 4.806 2.817 460 HG SER 59 HG SER 59 16.318 3.301 4.705 461 H GLN 60 H GLN 60 19.459 5.006 1.659 462 HA GLN 60 HA GLN 60 20.715 2.468 1.989 463 HB2 GLN 60 1HB GLN 60 19.671 3.576 -0.140 464 HB3 GLN 60 2HB GLN 60 21.275 4.267 -0.340 465 HG2 GLN 60 1HG GLN 60 21.124 2.273 -1.645 466 HG3 GLN 60 2HG GLN 60 22.220 1.985 -0.294 467 HE21 GLN 60 2HE2 GLN 60 21.917 0.199 0.825 468 HE22 GLN 60 1HE2 GLN 60 20.469 -0.743 0.865 469 H ALA 61 H ALA 61 21.916 5.780 1.591 470 HA ALA 61 HA ALA 61 24.655 5.166 1.526 471 HB1 ALA 61 1HB ALA 61 23.254 7.422 1.168 472 HB2 ALA 61 2HB ALA 61 23.859 7.708 2.800 473 HB3 ALA 61 3HB ALA 61 24.990 7.401 1.482 474 H LYS 62 H LYS 62 22.536 6.038 4.241 475 HA LYS 62 HA LYS 62 24.561 5.927 6.218 476 HB2 LYS 62 1HB LYS 62 22.790 6.076 7.822 477 HB3 LYS 62 2HB LYS 62 22.356 7.095 6.456 478 HG2 LYS 62 1HG LYS 62 20.870 5.346 5.619 479 HG3 LYS 62 2HG LYS 62 21.307 4.322 6.988 480 HD2 LYS 62 1HD LYS 62 19.960 7.018 7.156 481 HD3 LYS 62 2HD LYS 62 19.169 5.453 7.361 482 HE2 LYS 62 1HE LYS 62 21.303 6.667 9.110 483 HE3 LYS 62 2HE LYS 62 19.614 6.384 9.530 484 HZ1 LYS 62 3HZ LYS 62 21.832 4.492 9.374 485 HZ2 LYS 62 1HZ LYS 62 20.306 3.929 8.908 486 HZ3 LYS 62 2HZ LYS 62 20.539 4.555 10.462 487 H LEU 63 H LEU 63 22.415 3.536 4.824 488 HA LEU 63 HA LEU 63 22.736 1.508 6.743 489 HB2 LEU 63 1HB LEU 63 21.002 1.472 5.023 490 HB3 LEU 63 2HB LEU 63 22.234 1.272 3.779 491 HG LEU 63 HG LEU 63 22.047 -0.768 5.944 492 HD11 LEU 63 1HD1 LEU 63 19.756 -0.624 5.373 493 HD12 LEU 63 2HD1 LEU 63 20.405 -2.000 4.483 494 HD13 LEU 63 3HD1 LEU 63 20.119 -0.470 3.654 495 HD21 LEU 63 3HD2 LEU 63 22.439 -2.103 3.667 496 HD22 LEU 63 1HD2 LEU 63 23.757 -1.365 4.579 497 HD23 LEU 63 2HD2 LEU 63 23.080 -0.533 3.179 498 H LEU 64 H LEU 64 24.486 2.121 3.707 499 HA LEU 64 HA LEU 64 26.297 -0.043 4.041 500 HB2 LEU 64 1HB LEU 64 26.718 2.445 2.399 501 HB3 LEU 64 2HB LEU 64 27.489 0.875 2.180 502 HG LEU 64 HG LEU 64 24.573 0.783 1.984 503 HD11 LEU 64 1HD1 LEU 64 25.880 2.031 -0.371 504 HD12 LEU 64 2HD1 LEU 64 25.428 3.072 0.978 505 HD13 LEU 64 3HD1 LEU 64 24.201 2.101 0.164 506 HD21 LEU 64 3HD2 LEU 64 25.553 -0.204 -0.320 507 HD22 LEU 64 1HD2 LEU 64 25.448 -1.132 1.176 508 HD23 LEU 64 2HD2 LEU 64 26.971 -0.371 0.716 509 H LEU 65 H LEU 65 26.452 3.413 4.768 510 HA LEU 65 HA LEU 65 29.164 3.433 5.586 511 HB2 LEU 65 1HB LEU 65 26.878 5.267 5.656 512 HB3 LEU 65 2HB LEU 65 28.027 5.488 6.974 513 HG LEU 65 HG LEU 65 28.687 5.598 4.031 514 HD11 LEU 65 1HD1 LEU 65 28.398 7.778 6.092 515 HD12 LEU 65 2HD1 LEU 65 27.367 7.508 4.688 516 HD13 LEU 65 3HD1 LEU 65 29.047 7.998 4.467 517 HD21 LEU 65 3HD2 LEU 65 30.618 4.843 5.140 518 HD22 LEU 65 1HD2 LEU 65 30.345 5.909 6.518 519 HD23 LEU 65 2HD2 LEU 65 30.836 6.585 4.965 520 H SER 66 H SER 66 26.219 2.502 7.143 521 HA SER 66 HA SER 66 27.411 2.551 9.798 522 HB2 SER 66 1HB SER 66 24.658 1.799 8.804 523 HB3 SER 66 2HB SER 66 25.152 1.643 10.490 524 HG SER 66 HG SER 66 25.264 3.799 10.677 525 H THR 67 H THR 67 26.713 0.320 7.237 526 HA THR 67 HA THR 67 27.251 -1.994 8.937 527 HB THR 67 HB THR 67 25.396 -1.946 7.167 528 HG1 THR 67 HG1 THR 67 25.575 -4.095 7.099 529 HG21 THR 67 3HG2 THR 67 27.351 -2.871 5.166 530 HG22 THR 67 1HG2 THR 67 27.357 -1.137 5.483 531 HG23 THR 67 2HG2 THR 67 25.873 -1.932 4.958 532 H THR 68 H THR 68 28.920 0.152 6.943 533 HA THR 68 HA THR 68 31.210 -1.689 6.834 534 HB THR 68 HB THR 68 31.766 -1.167 4.631 535 HG1 THR 68 HG1 THR 68 31.414 0.759 3.822 536 HG21 THR 68 3HG2 THR 68 29.348 -2.286 5.106 537 HG22 THR 68 1HG2 THR 68 30.056 -2.118 3.501 538 HG23 THR 68 2HG2 THR 68 28.881 -0.935 4.075 539 H ARG 69 H ARG 69 33.264 -0.373 6.225 540 HA ARG 69 HA ARG 69 33.231 2.115 7.805 541 HB2 ARG 69 1HB ARG 69 34.600 -0.120 8.446 542 HB3 ARG 69 2HB ARG 69 35.793 0.677 7.428 543 HG2 ARG 69 1HG ARG 69 36.325 2.101 9.041 544 HG3 ARG 69 2HG ARG 69 34.634 2.531 9.306 545 HD2 ARG 69 1HD ARG 69 35.465 -0.114 10.308 546 HD3 ARG 69 2HD ARG 69 36.176 1.275 11.129 547 HE ARG 69 HE ARG 69 33.401 1.659 10.875 548 HH11 ARG 69 2HH1 ARG 69 35.705 -0.298 12.602 549 HH12 ARG 69 1HH1 ARG 69 34.676 -0.528 13.977 550 HH21 ARG 69 2HH2 ARG 69 32.037 1.364 12.680 551 HH22 ARG 69 1HH2 ARG 69 32.590 0.417 14.019 552 H MET 70 H MET 70 32.950 1.498 4.816 553 HA MET 70 HA MET 70 35.237 2.425 3.473 554 HB2 MET 70 1HB MET 70 32.317 2.450 2.711 555 HB3 MET 70 2HB MET 70 33.596 2.965 1.619 556 HG2 MET 70 1HG MET 70 34.614 0.734 1.797 557 HG3 MET 70 2HG MET 70 33.279 0.229 2.829 558 HE1 MET 70 3HE MET 70 30.964 -0.517 1.986 559 HE2 MET 70 1HE MET 70 30.696 1.211 1.759 560 HE3 MET 70 2HE MET 70 30.254 0.076 0.484 561 HA PRO 71 HA PRO 71 35.269 6.768 4.105 562 HB2 PRO 71 1HB PRO 71 36.143 7.659 1.694 563 HB3 PRO 71 2HB PRO 71 37.190 6.822 2.846 564 HG2 PRO 71 1HG PRO 71 35.793 5.744 0.428 565 HG3 PRO 71 2HG PRO 71 37.448 5.445 0.990 566 HD2 PRO 71 1HD PRO 71 35.428 3.689 1.404 567 HD3 PRO 71 2HD PRO 71 36.771 3.888 2.549 568 H ILE 72 H ILE 72 34.327 8.805 3.432 569 HA ILE 72 HA ILE 72 31.622 8.587 2.693 570 HB ILE 72 HB ILE 72 33.373 11.048 2.697 571 HG12 ILE 72 1HG1 ILE 72 31.411 10.265 4.834 572 HG13 ILE 72 2HG1 ILE 72 33.054 9.633 4.852 573 HG21 ILE 72 1HG2 ILE 72 31.596 11.933 1.642 574 HG22 ILE 72 2HG2 ILE 72 30.530 10.610 2.112 575 HG23 ILE 72 3HG2 ILE 72 30.868 11.916 3.248 576 HD11 ILE 72 3HD1 ILE 72 33.281 11.464 6.191 577 HD12 ILE 72 1HD1 ILE 72 33.692 12.162 4.624 578 HD13 ILE 72 2HD1 ILE 72 32.081 12.402 5.302 579 H ALA 73 H ALA 73 34.518 9.195 0.840 580 HA ALA 73 HA ALA 73 33.313 10.225 -1.493 581 HB1 ALA 73 1HB ALA 73 35.618 10.555 -1.324 582 HB2 ALA 73 2HB ALA 73 35.928 8.856 -0.963 583 HB3 ALA 73 3HB ALA 73 35.451 9.338 -2.590 584 H THR 74 H THR 74 34.245 6.916 -0.586 585 HA THR 74 HA THR 74 33.407 5.696 -2.989 586 HB THR 74 HB THR 74 33.662 4.494 -0.225 587 HG1 THR 74 HG1 THR 74 35.693 3.775 -1.112 588 HG21 THR 74 3HG2 THR 74 33.497 3.149 -2.924 589 HG22 THR 74 1HG2 THR 74 32.253 3.117 -1.675 590 HG23 THR 74 2HG2 THR 74 33.811 2.340 -1.389 591 H VAL 75 H VAL 75 31.798 5.982 0.176 592 HA VAL 75 HA VAL 75 29.435 4.649 -0.499 593 HB VAL 75 HB VAL 75 29.708 6.938 1.453 594 HG11 VAL 75 1HG1 VAL 75 27.619 6.520 2.125 595 HG12 VAL 75 2HG1 VAL 75 27.435 5.639 0.607 596 HG13 VAL 75 3HG1 VAL 75 27.863 4.774 2.083 597 HG21 VAL 75 3HG2 VAL 75 31.001 5.623 2.691 598 HG22 VAL 75 1HG2 VAL 75 29.699 4.435 2.762 599 HG23 VAL 75 2HG2 VAL 75 30.904 4.347 1.477 600 H GLY 76 H GLY 76 30.357 8.043 -0.855 601 HA2 GLY 76 1HA GLY 76 27.892 9.130 -1.547 602 HA3 GLY 76 2HA GLY 76 29.444 9.732 -2.113 603 H ARG 77 H ARG 77 30.120 7.241 -3.487 604 HA ARG 77 HA ARG 77 28.978 7.842 -6.008 605 HB2 ARG 77 1HB ARG 77 30.704 5.596 -4.995 606 HB3 ARG 77 2HB ARG 77 30.099 5.610 -6.646 607 HG2 ARG 77 1HG ARG 77 31.151 7.914 -6.849 608 HG3 ARG 77 2HG ARG 77 31.981 7.543 -5.337 609 HD2 ARG 77 1HD ARG 77 33.457 6.962 -7.106 610 HD3 ARG 77 2HD ARG 77 32.838 5.456 -6.430 611 HE ARG 77 HE ARG 77 31.209 6.228 -8.581 612 HH11 ARG 77 2HH1 ARG 77 34.426 5.062 -7.943 613 HH12 ARG 77 1HH1 ARG 77 34.587 4.277 -9.479 614 HH21 ARG 77 2HH2 ARG 77 31.408 5.198 -10.606 615 HH22 ARG 77 1HH2 ARG 77 32.870 4.356 -10.994 616 H ASN 78 H ASN 78 28.246 5.477 -3.529 617 HA ASN 78 HA ASN 78 26.574 3.798 -5.050 618 HB2 ASN 78 1HB ASN 78 27.132 4.246 -2.189 619 HB3 ASN 78 2HB ASN 78 25.534 3.594 -2.538 620 HD21 ASN 78 2HD2 ASN 78 28.399 2.658 -1.577 621 HD22 ASN 78 1HD2 ASN 78 28.530 1.111 -2.334 622 H VAL 79 H VAL 79 26.023 6.849 -3.439 623 HA VAL 79 HA VAL 79 23.146 6.698 -3.902 624 HB VAL 79 HB VAL 79 23.108 8.942 -2.785 625 HG11 VAL 79 1HG1 VAL 79 22.982 7.981 -0.736 626 HG12 VAL 79 2HG1 VAL 79 23.117 6.503 -1.690 627 HG13 VAL 79 3HG1 VAL 79 24.541 7.174 -0.895 628 HG21 VAL 79 3HG2 VAL 79 25.112 9.685 -1.600 629 HG22 VAL 79 1HG2 VAL 79 26.030 8.357 -2.311 630 HG23 VAL 79 2HG2 VAL 79 25.387 9.635 -3.342 631 H GLY 80 H GLY 80 25.588 7.235 -5.869 632 HA2 GLY 80 1HA GLY 80 25.600 8.167 -7.989 633 HA3 GLY 80 2HA GLY 80 24.033 8.884 -7.646 634 H PHE 81 H PHE 81 26.087 9.628 -5.148 635 HA PHE 81 HA PHE 81 26.482 12.322 -6.213 636 HB2 PHE 81 1HB PHE 81 26.639 11.194 -3.416 637 HB3 PHE 81 2HB PHE 81 27.083 12.851 -3.812 638 HD1 PHE 81 HD2 PHE 81 24.937 13.385 -5.858 639 HD2 PHE 81 HD1 PHE 81 24.800 11.572 -2.009 640 HE1 PHE 81 HE2 PHE 81 22.586 14.071 -5.622 641 HE2 PHE 81 HE1 PHE 81 22.449 12.254 -1.767 642 HZ PHE 81 HZ PHE 81 21.339 13.506 -3.574 643 H ASP 82 H ASP 82 28.360 12.804 -7.116 644 HA ASP 82 HA ASP 82 30.698 11.170 -6.665 645 HB2 ASP 82 1HB ASP 82 30.390 11.864 -8.913 646 HB3 ASP 82 2HB ASP 82 30.128 13.540 -8.439 647 H ASP 83 H ASP 83 29.513 14.313 -5.712 648 HA ASP 83 HA ASP 83 32.057 15.122 -4.586 649 HB2 ASP 83 1HB ASP 83 29.346 16.383 -4.817 650 HB3 ASP 83 2HB ASP 83 30.523 17.038 -3.682 651 H GLN 84 H GLN 84 32.727 14.474 -2.660 652 HA GLN 84 HA GLN 84 31.158 12.981 -0.869 653 HB2 GLN 84 1HB GLN 84 33.067 13.343 0.723 654 HB3 GLN 84 2HB GLN 84 33.528 12.690 -0.843 655 HG2 GLN 84 1HG GLN 84 34.341 14.820 -1.565 656 HG3 GLN 84 2HG GLN 84 33.715 15.601 -0.114 657 HE21 GLN 84 2HE2 GLN 84 34.521 14.303 1.945 658 HE22 GLN 84 1HE2 GLN 84 36.234 14.081 1.994 659 H LEU 85 H LEU 85 31.952 16.403 -1.016 660 HA LEU 85 HA LEU 85 30.926 17.081 1.542 661 HB2 LEU 85 1HB LEU 85 31.493 18.678 -0.939 662 HB3 LEU 85 2HB LEU 85 30.835 19.413 0.521 663 HG LEU 85 HG LEU 85 33.394 17.859 0.624 664 HD11 LEU 85 1HD1 LEU 85 33.229 19.820 -1.165 665 HD12 LEU 85 2HD1 LEU 85 34.671 19.548 -0.189 666 HD13 LEU 85 3HD1 LEU 85 33.517 20.797 0.275 667 HD21 LEU 85 3HD2 LEU 85 33.785 19.051 2.594 668 HD22 LEU 85 1HD2 LEU 85 32.063 18.676 2.658 669 HD23 LEU 85 2HD2 LEU 85 32.596 20.291 2.191 670 H TYR 86 H TYR 86 29.509 16.777 -1.645 671 HA TYR 86 HA TYR 86 27.106 18.141 -1.220 672 HB2 TYR 86 1HB TYR 86 27.953 17.289 -3.422 673 HB3 TYR 86 2HB TYR 86 27.474 15.670 -2.923 674 HD1 TYR 86 HD2 TYR 86 24.991 15.325 -2.313 675 HD2 TYR 86 HD1 TYR 86 26.425 18.684 -4.497 676 HE1 TYR 86 HE2 TYR 86 22.722 15.728 -3.171 677 HE2 TYR 86 HE1 TYR 86 24.160 19.097 -5.361 678 HH TYR 86 HH TYR 86 21.534 18.168 -4.153 679 H PHE 87 H PHE 87 27.891 14.706 -0.744 680 HA PHE 87 HA PHE 87 25.329 13.969 0.203 681 HB2 PHE 87 1HB PHE 87 26.774 12.252 -0.629 682 HB3 PHE 87 2HB PHE 87 28.044 12.685 0.510 683 HD1 PHE 87 HD1 PHE 87 24.423 11.785 0.688 684 HD2 PHE 87 HD2 PHE 87 28.353 11.191 2.211 685 HE1 PHE 87 HE1 PHE 87 23.551 10.126 2.282 686 HE2 PHE 87 HE2 PHE 87 27.488 9.530 3.807 687 HZ PHE 87 HZ PHE 87 25.084 8.995 3.844 688 H SER 88 H SER 88 28.293 14.995 1.826 689 HA SER 88 HA SER 88 27.410 14.520 4.467 690 HB2 SER 88 1HB SER 88 29.399 16.637 3.638 691 HB3 SER 88 2HB SER 88 29.316 15.774 5.173 692 HG SER 88 HG SER 88 30.836 14.673 4.121 693 H ARG 89 H ARG 89 27.154 17.298 2.317 694 HA ARG 89 HA ARG 89 26.219 19.164 4.201 695 HB2 ARG 89 1HB ARG 89 25.862 18.947 1.215 696 HB3 ARG 89 2HB ARG 89 25.217 20.292 2.146 697 HG2 ARG 89 1HG ARG 89 28.097 19.615 2.440 698 HG3 ARG 89 2HG ARG 89 27.559 20.440 0.975 699 HD2 ARG 89 1HD ARG 89 26.771 22.296 2.185 700 HD3 ARG 89 2HD ARG 89 26.827 21.424 3.716 701 HE ARG 89 HE ARG 89 29.415 21.454 2.901 702 HH11 ARG 89 2HH1 ARG 89 26.995 23.915 3.355 703 HH12 ARG 89 1HH1 ARG 89 28.140 25.149 3.767 704 HH21 ARG 89 2HH2 ARG 89 30.932 23.069 3.443 705 HH22 ARG 89 1HH2 ARG 89 30.379 24.666 3.816 706 H VAL 90 H VAL 90 24.433 17.071 1.941 707 HA VAL 90 HA VAL 90 21.867 17.852 2.889 708 HB VAL 90 HB VAL 90 22.671 15.382 1.346 709 HG11 VAL 90 1HG1 VAL 90 20.590 14.693 1.741 710 HG12 VAL 90 2HG1 VAL 90 20.143 16.234 2.476 711 HG13 VAL 90 3HG1 VAL 90 20.049 16.030 0.727 712 HG21 VAL 90 3HG2 VAL 90 23.180 17.019 -0.152 713 HG22 VAL 90 1HG2 VAL 90 21.448 16.900 -0.465 714 HG23 VAL 90 2HG2 VAL 90 22.071 18.182 0.574 715 H PHE 91 H PHE 91 23.923 15.017 3.478 716 HA PHE 91 HA PHE 91 22.149 13.640 5.158 717 HB2 PHE 91 1HB PHE 91 24.099 12.550 4.188 718 HB3 PHE 91 2HB PHE 91 25.173 13.604 5.102 719 HD1 PHE 91 HD1 PHE 91 25.501 13.287 7.483 720 HD2 PHE 91 HD2 PHE 91 22.962 10.709 5.242 721 HE1 PHE 91 HE1 PHE 91 25.521 11.665 9.333 722 HE2 PHE 91 HE2 PHE 91 22.977 9.083 7.089 723 HZ PHE 91 HZ PHE 91 24.257 9.560 9.138 724 H LYS 92 H LYS 92 24.492 16.174 5.805 725 HA LYS 92 HA LYS 92 24.598 16.030 8.586 726 HB2 LYS 92 1HB LYS 92 26.130 17.445 7.397 727 HB3 LYS 92 2HB LYS 92 24.814 18.400 6.727 728 HG2 LYS 92 1HG LYS 92 24.260 19.174 9.004 729 HG3 LYS 92 2HG LYS 92 25.656 18.283 9.615 730 HD2 LYS 92 1HD LYS 92 27.171 19.715 8.617 731 HD3 LYS 92 2HD LYS 92 26.015 20.252 7.396 732 HE2 LYS 92 1HE LYS 92 24.861 21.609 8.961 733 HE3 LYS 92 2HE LYS 92 25.714 20.884 10.323 734 HZ1 LYS 92 3HZ LYS 92 26.403 23.194 9.115 735 HZ2 LYS 92 1HZ LYS 92 27.449 22.094 8.369 736 HZ3 LYS 92 2HZ LYS 92 27.444 22.247 10.053 737 H LYS 93 H LYS 93 22.382 17.877 6.510 738 HA LYS 93 HA LYS 93 20.868 18.883 8.728 739 HB2 LYS 93 1HB LYS 93 20.535 18.944 5.744 740 HB3 LYS 93 2HB LYS 93 19.230 19.472 6.798 741 HG2 LYS 93 1HG LYS 93 20.348 21.337 7.484 742 HG3 LYS 93 2HG LYS 93 21.938 20.606 7.249 743 HD2 LYS 93 1HD LYS 93 21.641 22.301 5.582 744 HD3 LYS 93 2HD LYS 93 21.549 20.728 4.786 745 HE2 LYS 93 1HE LYS 93 19.205 20.862 4.573 746 HE3 LYS 93 2HE LYS 93 19.099 22.202 5.714 747 HZ1 LYS 93 3HZ LYS 93 18.834 23.013 3.484 748 HZ2 LYS 93 1HZ LYS 93 20.285 22.294 2.993 749 HZ3 LYS 93 2HZ LYS 93 20.307 23.577 4.095 750 H CYS 94 H CYS 94 20.766 16.062 6.723 751 HA CYS 94 HA CYS 94 18.082 15.324 7.024 752 HB2 CYS 94 1HB CYS 94 20.612 13.808 6.486 753 HB3 CYS 94 2HB CYS 94 19.114 12.931 6.777 754 HG CYS 94 HG CYS 94 18.053 13.278 4.447 755 H THR 95 H THR 95 20.927 14.422 8.961 756 HA THR 95 HA THR 95 19.129 13.363 11.027 757 HB THR 95 HB THR 95 21.267 12.439 12.025 758 HG1 THR 95 HG1 THR 95 23.053 13.097 11.116 759 HG21 THR 95 3HG2 THR 95 19.602 11.410 10.130 760 HG22 THR 95 1HG2 THR 95 20.893 10.510 10.924 761 HG23 THR 95 2HG2 THR 95 21.172 11.243 9.344 762 H GLY 96 H GLY 96 20.949 16.097 10.273 763 HA2 GLY 96 1HA GLY 96 20.895 18.066 11.586 764 HA3 GLY 96 2HA GLY 96 20.639 17.076 13.015 765 H ALA 97 H ALA 97 22.967 15.424 11.600 766 HA ALA 97 HA ALA 97 25.182 17.138 12.473 767 HB1 ALA 97 1HB ALA 97 25.296 14.275 13.255 768 HB2 ALA 97 2HB ALA 97 26.010 15.690 14.029 769 HB3 ALA 97 3HB ALA 97 24.287 15.360 14.212 770 H SER 98 H SER 98 27.161 16.725 11.479 771 HA SER 98 HA SER 98 27.040 15.707 8.852 772 HB2 SER 98 1HB SER 98 29.727 15.777 9.417 773 HB3 SER 98 2HB SER 98 28.774 17.154 8.863 774 HG SER 98 HG SER 98 29.201 18.044 10.704 775 HA PRO 99 HA PRO 99 28.003 11.442 9.198 776 HB2 PRO 99 1HB PRO 99 29.776 11.054 7.179 777 HB3 PRO 99 2HB PRO 99 28.056 11.354 6.903 778 HG2 PRO 99 1HG PRO 99 30.361 13.259 6.753 779 HG3 PRO 99 2HG PRO 99 28.977 13.089 5.657 780 HD2 PRO 99 1HD PRO 99 29.110 15.025 7.545 781 HD3 PRO 99 2HD PRO 99 27.576 14.291 7.037 782 H SER 100 H SER 100 30.753 13.636 9.086 783 HA SER 100 HA SER 100 32.716 11.771 9.918 784 HB2 SER 100 1HB SER 100 33.251 13.933 8.823 785 HB3 SER 100 2HB SER 100 32.711 14.779 10.273 786 HG SER 100 HG SER 100 34.995 14.451 10.210 787 H GLU 101 H GLU 101 30.497 13.877 11.640 788 HA GLU 101 HA GLU 101 31.684 13.463 14.210 789 HB2 GLU 101 1HB GLU 101 30.301 15.455 13.603 790 HB3 GLU 101 2HB GLU 101 28.888 14.410 13.570 791 HG2 GLU 101 1HG GLU 101 28.623 14.632 15.750 792 HG3 GLU 101 2HG GLU 101 30.258 14.045 16.044 793 H PHE 102 H PHE 102 28.798 12.189 12.575 794 HA PHE 102 HA PHE 102 27.917 10.537 14.660 795 HB2 PHE 102 1HB PHE 102 26.703 11.205 12.490 796 HB3 PHE 102 2HB PHE 102 27.561 9.857 11.749 797 HD1 PHE 102 HD2 PHE 102 25.305 10.683 14.585 798 HD2 PHE 102 HD1 PHE 102 26.675 7.721 11.852 799 HE1 PHE 102 HE2 PHE 102 23.565 9.141 15.389 800 HE2 PHE 102 HE1 PHE 102 24.936 6.175 12.651 801 HZ PHE 102 HZ PHE 102 23.379 6.883 14.423 802 H ARG 103 H ARG 103 30.235 9.988 12.067 803 HA ARG 103 HA ARG 103 30.554 7.223 12.361 804 HB2 ARG 103 1HB ARG 103 32.035 9.424 11.104 805 HB3 ARG 103 2HB ARG 103 33.049 8.081 11.613 806 HG2 ARG 103 1HG ARG 103 30.589 7.726 9.926 807 HG3 ARG 103 2HG ARG 103 32.199 7.986 9.251 808 HD2 ARG 103 1HD ARG 103 32.645 5.978 11.051 809 HD3 ARG 103 2HD ARG 103 31.025 5.597 10.469 810 HE ARG 103 HE ARG 103 31.961 4.929 8.504 811 HH11 ARG 103 2HH1 ARG 103 34.179 7.082 10.106 812 HH12 ARG 103 1HH1 ARG 103 35.435 6.872 8.931 813 HH21 ARG 103 2HH2 ARG 103 33.607 4.644 6.951 814 HH22 ARG 103 1HH2 ARG 103 35.109 5.486 7.137 815 H ALA 104 H ALA 104 32.170 9.926 13.975 816 HA ALA 104 HA ALA 104 34.027 8.365 15.429 817 HB1 ALA 104 1HB ALA 104 33.152 11.157 15.387 818 HB2 ALA 104 2HB ALA 104 33.692 10.592 16.968 819 HB3 ALA 104 3HB ALA 104 34.767 10.474 15.575 820 H GLY 105 H GLY 105 30.676 9.129 15.919 821 HA2 GLY 105 1HA GLY 105 29.257 7.893 17.345 822 HA3 GLY 105 2HA GLY 105 30.663 7.395 18.274 823 H CYS 106 H CYS 106 31.274 10.506 17.959 824 HA CYS 106 HA CYS 106 30.461 11.156 20.603 825 HB2 CYS 106 1HB CYS 106 32.457 12.049 19.123 826 HB3 CYS 106 2HB CYS 106 31.281 13.271 18.655 827 HG CYS 106 HG CYS 106 32.926 14.342 20.638 828 H GLU 107 H GLU 107 28.645 12.062 21.320 829 HA GLU 107 HA GLU 107 26.533 12.673 19.459 830 HB2 GLU 107 1HB GLU 107 26.715 12.685 22.467 831 HB3 GLU 107 2HB GLU 107 25.278 13.231 21.614 832 HG2 GLU 107 1HG GLU 107 24.901 10.986 22.238 833 HG3 GLU 107 2HG GLU 107 25.195 10.992 20.501 Start of MODEL 13 1 H1 MET 1 H MET 1 0.351 -0.217 0.728 2 HA MET 1 HA MET 1 0.914 1.147 -1.504 3 HB2 MET 1 1HB MET 1 2.372 -0.506 -0.071 4 HB3 MET 1 2HB MET 1 2.008 -1.634 -1.370 5 HG2 MET 1 1HG MET 1 3.318 -0.562 -2.860 6 HG3 MET 1 2HG MET 1 2.971 1.029 -2.187 7 HE1 MET 1 3HE MET 1 6.266 0.511 -2.899 8 HE2 MET 1 1HE MET 1 5.114 1.811 -2.591 9 HE3 MET 1 2HE MET 1 6.507 1.598 -1.531 10 H ASP 2 H ASP 2 0.376 1.166 -3.592 11 HA ASP 2 HA ASP 2 -1.549 -0.733 -4.576 12 HB2 ASP 2 1HB ASP 2 -1.139 1.886 -5.092 13 HB3 ASP 2 2HB ASP 2 -0.292 1.174 -6.462 14 H ASN 3 H ASN 3 -1.307 -2.134 -6.336 15 HA ASN 3 HA ASN 3 1.058 -3.593 -6.459 16 HB2 ASN 3 1HB ASN 3 -1.232 -3.402 -8.422 17 HB3 ASN 3 2HB ASN 3 0.075 -4.574 -8.569 18 HD21 ASN 3 2HD2 ASN 3 0.332 -6.138 -6.890 19 HD22 ASN 3 1HD2 ASN 3 -1.028 -6.622 -5.940 20 H ARG 4 H ARG 4 -0.167 -1.094 -8.661 21 HA ARG 4 HA ARG 4 1.932 -1.235 -10.529 22 HB2 ARG 4 1HB ARG 4 1.156 0.926 -11.318 23 HB3 ARG 4 2HB ARG 4 -0.221 -0.107 -10.960 24 HG2 ARG 4 1HG ARG 4 -0.973 1.752 -9.939 25 HG3 ARG 4 2HG ARG 4 0.010 1.146 -8.605 26 HD2 ARG 4 1HD ARG 4 0.416 3.524 -9.017 27 HD3 ARG 4 2HD ARG 4 1.862 2.558 -9.308 28 HE ARG 4 HE ARG 4 1.749 3.097 -11.547 29 HH11 ARG 4 2HH1 ARG 4 -1.154 4.123 -9.922 30 HH12 ARG 4 1HH1 ARG 4 -1.726 5.065 -11.260 31 HH21 ARG 4 2HH2 ARG 4 1.007 4.333 -13.314 32 HH22 ARG 4 1HH2 ARG 4 -0.496 5.183 -13.189 33 H VAL 5 H VAL 5 1.584 0.494 -7.496 34 HA VAL 5 HA VAL 5 3.725 2.280 -7.745 35 HB VAL 5 HB VAL 5 2.659 0.968 -5.241 36 HG11 VAL 5 1HG1 VAL 5 3.636 2.927 -4.085 37 HG12 VAL 5 2HG1 VAL 5 4.852 1.885 -4.827 38 HG13 VAL 5 3HG1 VAL 5 4.400 3.404 -5.601 39 HG21 VAL 5 3HG2 VAL 5 1.006 2.503 -5.183 40 HG22 VAL 5 1HG2 VAL 5 2.014 3.770 -5.881 41 HG23 VAL 5 2HG2 VAL 5 1.272 2.558 -6.925 42 H ARG 6 H ARG 6 3.616 -1.081 -6.682 43 HA ARG 6 HA ARG 6 6.287 -1.225 -5.762 44 HB2 ARG 6 1HB ARG 6 4.243 -2.860 -5.457 45 HB3 ARG 6 2HB ARG 6 4.900 -3.615 -6.903 46 HG2 ARG 6 1HG ARG 6 6.537 -4.594 -5.763 47 HG3 ARG 6 2HG ARG 6 6.946 -3.101 -4.915 48 HD2 ARG 6 1HD ARG 6 5.372 -3.503 -3.222 49 HD3 ARG 6 2HD ARG 6 4.532 -4.725 -4.176 50 HE ARG 6 HE ARG 6 6.755 -5.141 -2.456 51 HH11 ARG 6 2HH1 ARG 6 5.315 -6.216 -5.438 52 HH12 ARG 6 1HH1 ARG 6 6.008 -7.801 -5.353 53 HH21 ARG 6 2HH2 ARG 6 7.673 -7.225 -2.333 54 HH22 ARG 6 1HH2 ARG 6 7.349 -8.375 -3.586 55 H GLU 7 H GLU 7 4.782 -1.790 -8.899 56 HA GLU 7 HA GLU 7 7.128 -2.831 -10.141 57 HB2 GLU 7 1HB GLU 7 4.487 -1.818 -11.140 58 HB3 GLU 7 2HB GLU 7 5.790 -2.153 -12.272 59 HG2 GLU 7 1HG GLU 7 5.905 -4.459 -11.405 60 HG3 GLU 7 2HG GLU 7 4.528 -4.106 -10.362 61 H ALA 8 H ALA 8 5.746 0.367 -9.747 62 HA ALA 8 HA ALA 8 7.486 1.659 -11.611 63 HB1 ALA 8 1HB ALA 8 5.813 2.800 -9.376 64 HB2 ALA 8 2HB ALA 8 6.631 3.744 -10.623 65 HB3 ALA 8 3HB ALA 8 5.335 2.632 -11.066 66 H CYS 9 H CYS 9 7.420 1.377 -8.069 67 HA CYS 9 HA CYS 9 9.704 2.938 -7.573 68 HB2 CYS 9 1HB CYS 9 9.601 2.149 -5.359 69 HB3 CYS 9 2HB CYS 9 7.931 2.114 -5.912 70 HG CYS 9 HG CYS 9 9.218 -0.191 -4.330 71 H GLN 10 H GLN 10 9.303 -0.406 -8.489 72 HA GLN 10 HA GLN 10 11.864 -1.347 -7.800 73 HB2 GLN 10 1HB GLN 10 9.994 -2.838 -8.356 74 HB3 GLN 10 2HB GLN 10 10.030 -2.269 -10.020 75 HG2 GLN 10 1HG GLN 10 11.130 -4.344 -10.013 76 HG3 GLN 10 2HG GLN 10 12.395 -3.123 -10.139 77 HE21 GLN 10 2HE2 GLN 10 14.102 -3.902 -9.121 78 HE22 GLN 10 1HE2 GLN 10 14.110 -4.585 -7.534 79 H TYR 11 H TYR 11 10.636 0.292 -10.661 80 HA TYR 11 HA TYR 11 12.962 -0.075 -12.250 81 HB2 TYR 11 1HB TYR 11 10.932 0.439 -13.384 82 HB3 TYR 11 2HB TYR 11 10.664 1.875 -12.402 83 HD1 TYR 11 HD1 TYR 11 13.465 0.569 -14.518 84 HD2 TYR 11 HD2 TYR 11 10.909 3.837 -13.573 85 HE1 TYR 11 HE1 TYR 11 14.594 1.937 -16.221 86 HE2 TYR 11 HE2 TYR 11 12.031 5.213 -15.275 87 HH TYR 11 HH TYR 11 13.803 4.086 -17.677 88 H ILE 12 H ILE 12 11.847 2.516 -10.115 89 HA ILE 12 HA ILE 12 13.872 4.374 -10.673 90 HB ILE 12 HB ILE 12 12.425 3.985 -8.050 91 HG12 ILE 12 1HG1 ILE 12 11.710 5.827 -10.338 92 HG13 ILE 12 2HG1 ILE 12 10.951 4.261 -10.071 93 HG21 ILE 12 1HG2 ILE 12 13.886 6.358 -9.201 94 HG22 ILE 12 2HG2 ILE 12 12.901 6.392 -7.739 95 HG23 ILE 12 3HG2 ILE 12 14.359 5.402 -7.797 96 HD11 ILE 12 3HD1 ILE 12 10.452 6.812 -8.798 97 HD12 ILE 12 1HD1 ILE 12 9.453 5.360 -8.860 98 HD13 ILE 12 2HD1 ILE 12 10.710 5.515 -7.632 99 H SER 13 H SER 13 13.705 1.750 -8.305 100 HA SER 13 HA SER 13 16.040 2.299 -6.888 101 HB2 SER 13 1HB SER 13 15.805 0.196 -5.946 102 HB3 SER 13 2HB SER 13 14.169 0.478 -6.541 103 HG SER 13 HG SER 13 16.185 -1.180 -7.593 104 H ASP 14 H ASP 14 15.562 0.708 -9.975 105 HA ASP 14 HA ASP 14 18.170 -0.365 -10.233 106 HB2 ASP 14 1HB ASP 14 16.357 -1.207 -11.603 107 HB3 ASP 14 2HB ASP 14 16.122 0.380 -12.330 108 H HIS 15 H HIS 15 16.844 2.795 -10.712 109 HA HIS 15 HA HIS 15 19.347 3.689 -11.972 110 HB2 HIS 15 1HB HIS 15 16.597 4.939 -11.920 111 HB3 HIS 15 2HB HIS 15 18.025 5.755 -12.549 112 HD1 HIS 15 HD1 HIS 15 17.932 5.706 -15.011 113 HD2 HIS 15 HD2 HIS 15 16.587 2.142 -13.353 114 HE1 HIS 15 HE1 HIS 15 17.399 4.215 -16.964 115 H LEU 16 H LEU 16 18.598 3.201 -9.038 116 HA LEU 16 HA LEU 16 18.425 5.586 -7.631 117 HB2 LEU 16 1HB LEU 16 18.386 3.117 -6.833 118 HB3 LEU 16 2HB LEU 16 20.126 3.326 -6.653 119 HG LEU 16 HG LEU 16 19.734 5.149 -5.059 120 HD11 LEU 16 1HD1 LEU 16 17.107 5.052 -6.136 121 HD12 LEU 16 2HD1 LEU 16 17.784 6.194 -4.976 122 HD13 LEU 16 3HD1 LEU 16 17.015 4.713 -4.408 123 HD21 LEU 16 3HD2 LEU 16 18.690 2.404 -4.617 124 HD22 LEU 16 1HD2 LEU 16 18.408 3.610 -3.361 125 HD23 LEU 16 2HD2 LEU 16 20.055 3.233 -3.867 126 H ALA 17 H ALA 17 21.281 3.918 -8.884 127 HA ALA 17 HA ALA 17 23.076 5.928 -7.829 128 HB1 ALA 17 1HB ALA 17 24.508 4.389 -9.637 129 HB2 ALA 17 2HB ALA 17 24.417 4.153 -7.891 130 HB3 ALA 17 3HB ALA 17 23.322 3.275 -8.959 131 H ASP 18 H ASP 18 21.288 5.380 -10.709 132 HA ASP 18 HA ASP 18 22.966 7.008 -12.401 133 HB2 ASP 18 1HB ASP 18 20.407 5.511 -12.727 134 HB3 ASP 18 2HB ASP 18 20.746 6.822 -13.853 135 H SER 19 H SER 19 22.800 9.135 -12.773 136 HA SER 19 HA SER 19 21.055 10.703 -11.118 137 HB2 SER 19 1HB SER 19 22.669 11.875 -13.358 138 HB3 SER 19 2HB SER 19 22.325 12.544 -11.763 139 HG SER 19 HG SER 19 24.516 11.470 -12.374 140 H ASN 20 H ASN 20 21.074 9.596 -14.409 141 HA ASN 20 HA ASN 20 19.159 11.475 -15.396 142 HB2 ASN 20 1HB ASN 20 19.744 8.758 -16.571 143 HB3 ASN 20 2HB ASN 20 19.169 10.199 -17.404 144 HD21 ASN 20 2HD2 ASN 20 20.615 11.889 -17.817 145 HD22 ASN 20 1HD2 ASN 20 22.325 11.640 -17.799 146 H PHE 21 H PHE 21 17.343 11.482 -14.119 147 HA PHE 21 HA PHE 21 15.793 8.976 -14.058 148 HB2 PHE 21 1HB PHE 21 16.512 9.724 -11.814 149 HB3 PHE 21 2HB PHE 21 15.692 11.259 -12.076 150 HD1 PHE 21 HD2 PHE 21 14.587 7.794 -12.851 151 HD2 PHE 21 HD1 PHE 21 13.961 11.316 -10.546 152 HE1 PHE 21 HE2 PHE 21 12.509 6.832 -11.952 153 HE2 PHE 21 HE1 PHE 21 11.882 10.360 -9.642 154 HZ PHE 21 HZ PHE 21 11.153 8.115 -10.346 155 H ASP 22 H ASP 22 14.095 9.011 -15.356 156 HA ASP 22 HA ASP 22 12.779 11.594 -15.888 157 HB2 ASP 22 1HB ASP 22 13.884 10.632 -17.874 158 HB3 ASP 22 2HB ASP 22 12.922 9.168 -17.691 159 H ILE 23 H ILE 23 10.942 11.732 -14.787 160 HA ILE 23 HA ILE 23 9.556 9.649 -13.588 161 HB ILE 23 HB ILE 23 9.264 12.077 -13.070 162 HG12 ILE 23 1HG1 ILE 23 6.506 11.153 -13.589 163 HG13 ILE 23 2HG1 ILE 23 7.531 10.014 -12.724 164 HG21 ILE 23 1HG2 ILE 23 9.007 12.718 -15.502 165 HG22 ILE 23 2HG2 ILE 23 7.352 12.122 -15.390 166 HG23 ILE 23 3HG2 ILE 23 7.873 13.470 -14.380 167 HD11 ILE 23 3HD1 ILE 23 7.528 12.812 -11.772 168 HD12 ILE 23 1HD1 ILE 23 6.072 11.857 -11.496 169 HD13 ILE 23 2HD1 ILE 23 7.624 11.301 -10.868 170 H ALA 24 H ALA 24 9.461 10.784 -16.863 171 HA ALA 24 HA ALA 24 6.959 9.757 -17.643 172 HB1 ALA 24 1HB ALA 24 7.904 11.266 -19.138 173 HB2 ALA 24 2HB ALA 24 9.464 10.443 -19.136 174 HB3 ALA 24 3HB ALA 24 8.085 9.715 -19.959 175 H SER 25 H SER 25 10.201 8.323 -17.652 176 HA SER 25 HA SER 25 9.508 5.909 -18.918 177 HB2 SER 25 1HB SER 25 11.762 6.692 -17.079 178 HB3 SER 25 2HB SER 25 11.605 5.046 -17.693 179 HG SER 25 HG SER 25 12.944 6.460 -18.988 180 H VAL 26 H VAL 26 9.249 6.986 -15.608 181 HA VAL 26 HA VAL 26 8.868 4.451 -14.405 182 HB VAL 26 HB VAL 26 7.756 7.077 -13.417 183 HG11 VAL 26 1HG1 VAL 26 7.025 4.913 -12.341 184 HG12 VAL 26 2HG1 VAL 26 8.700 4.701 -11.828 185 HG13 VAL 26 3HG1 VAL 26 7.773 6.092 -11.264 186 HG21 VAL 26 3HG2 VAL 26 10.538 5.987 -13.384 187 HG22 VAL 26 1HG2 VAL 26 9.979 7.633 -13.683 188 HG23 VAL 26 2HG2 VAL 26 9.972 6.983 -12.043 189 H ALA 27 H ALA 27 6.572 6.931 -15.515 190 HA ALA 27 HA ALA 27 4.244 5.465 -14.843 191 HB1 ALA 27 1HB ALA 27 4.798 8.023 -15.767 192 HB2 ALA 27 2HB ALA 27 3.851 7.282 -17.058 193 HB3 ALA 27 3HB ALA 27 3.206 7.347 -15.418 194 H GLN 28 H GLN 28 6.127 5.767 -17.822 195 HA GLN 28 HA GLN 28 4.385 4.326 -19.495 196 HB2 GLN 28 1HB GLN 28 6.150 5.699 -20.422 197 HB3 GLN 28 2HB GLN 28 7.378 4.709 -19.645 198 HG2 GLN 28 1HG GLN 28 6.990 2.901 -21.084 199 HG3 GLN 28 2HG GLN 28 5.461 3.572 -21.648 200 HE21 GLN 28 2HE2 GLN 28 7.226 2.752 -23.490 201 HE22 GLN 28 1HE2 GLN 28 7.950 4.099 -24.294 202 H HIS 29 H HIS 29 6.959 3.306 -17.328 203 HA HIS 29 HA HIS 29 7.253 0.663 -18.160 204 HB2 HIS 29 1HB HIS 29 8.841 1.467 -16.614 205 HB3 HIS 29 2HB HIS 29 7.599 2.001 -15.485 206 HD1 HIS 29 HD1 HIS 29 8.070 -1.436 -17.041 207 HD2 HIS 29 HD2 HIS 29 8.015 0.418 -13.323 208 HE1 HIS 29 HE1 HIS 29 8.265 -3.295 -15.360 209 H VAL 30 H VAL 30 4.804 2.167 -16.160 210 HA VAL 30 HA VAL 30 3.558 -0.442 -15.658 211 HB VAL 30 HB VAL 30 2.038 0.860 -14.137 212 HG11 VAL 30 1HG1 VAL 30 4.069 1.424 -12.527 213 HG12 VAL 30 2HG1 VAL 30 3.614 -0.238 -12.909 214 HG13 VAL 30 3HG1 VAL 30 4.963 0.525 -13.752 215 HG21 VAL 30 3HG2 VAL 30 2.359 3.055 -15.206 216 HG22 VAL 30 1HG2 VAL 30 2.690 3.102 -13.474 217 HG23 VAL 30 2HG2 VAL 30 4.024 3.079 -14.627 218 H CYS 31 H CYS 31 3.555 1.268 -18.208 219 HA CYS 31 HA CYS 31 2.110 1.872 -19.863 220 HB2 CYS 31 1HB CYS 31 0.612 -0.373 -18.517 221 HB3 CYS 31 2HB CYS 31 0.024 0.400 -19.984 222 HG CYS 31 HG CYS 31 1.530 -0.858 -21.660 223 H LEU 32 H LEU 32 2.009 3.560 -17.644 224 HA LEU 32 HA LEU 32 -0.744 4.524 -17.861 225 HB2 LEU 32 1HB LEU 32 0.321 3.326 -15.539 226 HB3 LEU 32 2HB LEU 32 0.216 5.056 -15.221 227 HG LEU 32 HG LEU 32 -2.190 3.796 -16.385 228 HD11 LEU 32 1HD1 LEU 32 -1.954 3.465 -13.467 229 HD12 LEU 32 2HD1 LEU 32 -1.026 2.333 -14.452 230 HD13 LEU 32 3HD1 LEU 32 -2.772 2.462 -14.666 231 HD21 LEU 32 3HD2 LEU 32 -2.298 5.416 -13.936 232 HD22 LEU 32 1HD2 LEU 32 -3.227 5.546 -15.430 233 HD23 LEU 32 2HD2 LEU 32 -1.602 6.226 -15.341 234 H SER 33 H SER 33 -0.952 6.798 -17.085 235 HA SER 33 HA SER 33 1.175 8.373 -18.186 236 HB2 SER 33 1HB SER 33 -1.593 8.823 -17.291 237 HB3 SER 33 2HB SER 33 -0.512 10.191 -17.027 238 HG SER 33 HG SER 33 -0.187 10.371 -19.159 239 HA PRO 34 HA PRO 34 3.437 9.481 -14.595 240 HB2 PRO 34 1HB PRO 34 3.977 12.105 -15.033 241 HB3 PRO 34 2HB PRO 34 4.747 10.801 -15.945 242 HG2 PRO 34 1HG PRO 34 2.433 12.538 -16.712 243 HG3 PRO 34 2HG PRO 34 3.818 12.023 -17.691 244 HD2 PRO 34 1HD PRO 34 1.388 10.844 -17.872 245 HD3 PRO 34 2HD PRO 34 2.902 9.953 -18.125 246 H SER 35 H SER 35 0.807 11.702 -15.430 247 HA SER 35 HA SER 35 0.654 12.993 -12.924 248 HB2 SER 35 1HB SER 35 -1.416 13.908 -13.687 249 HB3 SER 35 2HB SER 35 -0.377 13.777 -15.106 250 HG SER 35 HG SER 35 -2.530 12.104 -14.350 251 H ARG 36 H ARG 36 -1.076 10.206 -14.271 252 HA ARG 36 HA ARG 36 -2.745 9.791 -12.020 253 HB2 ARG 36 1HB ARG 36 -2.022 8.266 -14.463 254 HB3 ARG 36 2HB ARG 36 -2.676 7.343 -13.117 255 HG2 ARG 36 1HG ARG 36 -4.047 9.782 -14.200 256 HG3 ARG 36 2HG ARG 36 -4.320 8.168 -14.859 257 HD2 ARG 36 1HD ARG 36 -5.343 7.411 -12.932 258 HD3 ARG 36 2HD ARG 36 -4.563 8.624 -11.919 259 HE ARG 36 HE ARG 36 -6.244 9.955 -13.699 260 HH11 ARG 36 2HH1 ARG 36 -6.477 7.720 -11.040 261 HH12 ARG 36 1HH1 ARG 36 -8.042 8.272 -10.543 262 HH21 ARG 36 2HH2 ARG 36 -8.305 10.690 -13.055 263 HH22 ARG 36 1HH2 ARG 36 -9.082 9.961 -11.690 264 H LEU 37 H LEU 37 0.390 8.469 -12.983 265 HA LEU 37 HA LEU 37 0.601 6.579 -10.893 266 HB2 LEU 37 1HB LEU 37 2.009 6.267 -12.743 267 HB3 LEU 37 2HB LEU 37 2.598 7.927 -12.679 268 HG LEU 37 HG LEU 37 3.783 7.348 -10.559 269 HD11 LEU 37 1HD1 LEU 37 4.078 5.040 -9.949 270 HD12 LEU 37 2HD1 LEU 37 3.081 4.514 -11.305 271 HD13 LEU 37 3HD1 LEU 37 2.354 5.414 -9.974 272 HD21 LEU 37 3HD2 LEU 37 5.509 7.132 -11.934 273 HD22 LEU 37 1HD2 LEU 37 4.430 6.656 -13.245 274 HD23 LEU 37 2HD2 LEU 37 5.102 5.432 -12.167 275 H SER 38 H SER 38 1.747 9.917 -11.221 276 HA SER 38 HA SER 38 3.158 10.073 -8.809 277 HB2 SER 38 1HB SER 38 3.074 12.461 -9.077 278 HB3 SER 38 2HB SER 38 3.221 11.753 -10.685 279 HG SER 38 HG SER 38 1.313 13.360 -9.748 280 H HIS 39 H HIS 39 -0.254 10.528 -9.537 281 HA HIS 39 HA HIS 39 -1.072 11.645 -7.106 282 HB2 HIS 39 1HB HIS 39 -2.496 11.535 -9.121 283 HB3 HIS 39 2HB HIS 39 -2.634 9.791 -8.917 284 HD1 HIS 39 HD1 HIS 39 -4.159 12.948 -7.909 285 HD2 HIS 39 HD2 HIS 39 -4.074 9.042 -6.497 286 HE1 HIS 39 HE1 HIS 39 -6.079 12.776 -6.294 287 H LEU 40 H LEU 40 -0.976 8.236 -8.125 288 HA LEU 40 HA LEU 40 -1.826 7.243 -5.590 289 HB2 LEU 40 1HB LEU 40 -1.024 6.150 -8.175 290 HB3 LEU 40 2HB LEU 40 -0.524 5.154 -6.810 291 HG LEU 40 HG LEU 40 -3.344 5.982 -7.491 292 HD11 LEU 40 1HD1 LEU 40 -2.844 4.280 -8.967 293 HD12 LEU 40 2HD1 LEU 40 -3.503 3.394 -7.593 294 HD13 LEU 40 3HD1 LEU 40 -1.758 3.474 -7.835 295 HD21 LEU 40 3HD2 LEU 40 -3.890 4.340 -5.638 296 HD22 LEU 40 1HD2 LEU 40 -3.246 5.904 -5.138 297 HD23 LEU 40 2HD2 LEU 40 -2.201 4.484 -5.149 298 H PHE 41 H PHE 41 1.262 7.965 -7.048 299 HA PHE 41 HA PHE 41 2.917 6.510 -5.301 300 HB2 PHE 41 1HB PHE 41 3.311 8.120 -7.505 301 HB3 PHE 41 2HB PHE 41 4.040 9.057 -6.205 302 HD1 PHE 41 HD2 PHE 41 5.950 8.183 -4.961 303 HD2 PHE 41 HD1 PHE 41 4.267 6.053 -8.239 304 HE1 PHE 41 HE2 PHE 41 7.970 6.783 -5.084 305 HE2 PHE 41 HE1 PHE 41 6.284 4.649 -8.367 306 HZ PHE 41 HZ PHE 41 8.139 5.014 -6.789 307 H ARG 42 H ARG 42 1.925 9.930 -5.217 308 HA ARG 42 HA ARG 42 3.178 10.457 -2.720 309 HB2 ARG 42 1HB ARG 42 2.482 12.127 -4.552 310 HB3 ARG 42 2HB ARG 42 0.874 12.031 -3.845 311 HG2 ARG 42 1HG ARG 42 1.520 13.081 -1.898 312 HG3 ARG 42 2HG ARG 42 3.219 12.650 -2.107 313 HD2 ARG 42 1HD ARG 42 3.503 14.270 -3.823 314 HD3 ARG 42 2HD ARG 42 1.766 14.552 -3.931 315 HE ARG 42 HE ARG 42 2.431 15.191 -1.352 316 HH11 ARG 42 2HH1 ARG 42 3.441 16.232 -4.516 317 HH12 ARG 42 1HH1 ARG 42 3.825 17.843 -4.007 318 HH21 ARG 42 2HH2 ARG 42 2.933 17.309 -0.669 319 HH22 ARG 42 1HH2 ARG 42 3.537 18.454 -1.818 320 H GLN 43 H GLN 43 0.100 9.169 -3.654 321 HA GLN 43 HA GLN 43 -1.194 9.650 -1.138 322 HB2 GLN 43 1HB GLN 43 -2.365 9.374 -3.364 323 HB3 GLN 43 2HB GLN 43 -2.004 7.657 -3.253 324 HG2 GLN 43 1HG GLN 43 -3.309 8.803 -0.889 325 HG3 GLN 43 2HG GLN 43 -4.278 8.815 -2.362 326 HE21 GLN 43 2HE2 GLN 43 -4.602 6.785 -3.458 327 HE22 GLN 43 1HE2 GLN 43 -4.614 5.316 -2.550 328 H GLN 44 H GLN 44 0.375 6.888 -2.697 329 HA GLN 44 HA GLN 44 -0.123 5.145 -0.457 330 HB2 GLN 44 1HB GLN 44 1.230 4.904 -3.099 331 HB3 GLN 44 2HB GLN 44 1.679 3.761 -1.841 332 HG2 GLN 44 1HG GLN 44 -0.238 3.213 -3.524 333 HG3 GLN 44 2HG GLN 44 -0.366 2.750 -1.828 334 HE21 GLN 44 2HE2 GLN 44 -2.307 3.085 -1.046 335 HE22 GLN 44 1HE2 GLN 44 -3.365 4.389 -1.451 336 H LEU 45 H LEU 45 2.590 7.005 -1.724 337 HA LEU 45 HA LEU 45 4.357 6.046 0.373 338 HB2 LEU 45 1HB LEU 45 4.824 8.120 -1.764 339 HB3 LEU 45 2HB LEU 45 6.049 7.435 -0.699 340 HG LEU 45 HG LEU 45 4.807 6.316 -3.140 341 HD11 LEU 45 1HD1 LEU 45 7.046 5.443 -3.460 342 HD12 LEU 45 2HD1 LEU 45 7.507 5.976 -1.844 343 HD13 LEU 45 3HD1 LEU 45 7.108 7.165 -3.083 344 HD21 LEU 45 3HD2 LEU 45 3.992 4.637 -1.735 345 HD22 LEU 45 1HD2 LEU 45 5.407 4.701 -0.684 346 HD23 LEU 45 2HD2 LEU 45 5.540 4.007 -2.300 347 H GLY 46 H GLY 46 2.154 8.593 -0.132 348 HA2 GLY 46 1HA GLY 46 1.530 10.347 1.215 349 HA3 GLY 46 2HA GLY 46 2.551 9.653 2.465 350 H ILE 47 H ILE 47 4.302 10.156 -0.352 351 HA ILE 47 HA ILE 47 4.990 12.919 0.226 352 HB ILE 47 HB ILE 47 7.357 12.509 0.516 353 HG12 ILE 47 1HG1 ILE 47 6.645 9.570 0.404 354 HG13 ILE 47 2HG1 ILE 47 7.527 10.460 -0.833 355 HG21 ILE 47 1HG2 ILE 47 5.720 10.822 2.405 356 HG22 ILE 47 2HG2 ILE 47 7.324 11.477 2.729 357 HG23 ILE 47 3HG2 ILE 47 5.955 12.567 2.514 358 HD11 ILE 47 3HD1 ILE 47 9.047 9.164 0.513 359 HD12 ILE 47 1HD1 ILE 47 9.322 10.884 0.786 360 HD13 ILE 47 2HD1 ILE 47 8.444 9.930 1.982 361 H SER 48 H SER 48 6.797 13.648 -1.318 362 HA SER 48 HA SER 48 5.969 12.950 -3.978 363 HB2 SER 48 1HB SER 48 6.705 15.274 -3.066 364 HB3 SER 48 2HB SER 48 8.342 14.690 -3.362 365 HG SER 48 HG SER 48 7.371 15.849 -5.146 366 H VAL 49 H VAL 49 7.335 12.183 -5.662 367 HA VAL 49 HA VAL 49 8.822 9.922 -5.069 368 HB VAL 49 HB VAL 49 9.744 10.122 -7.390 369 HG11 VAL 49 1HG1 VAL 49 7.804 8.893 -7.355 370 HG12 VAL 49 2HG1 VAL 49 6.833 10.239 -6.754 371 HG13 VAL 49 3HG1 VAL 49 7.346 10.204 -8.442 372 HG21 VAL 49 3HG2 VAL 49 8.222 12.721 -7.310 373 HG22 VAL 49 1HG2 VAL 49 9.938 12.482 -7.643 374 HG23 VAL 49 2HG2 VAL 49 8.730 11.933 -8.804 375 H LEU 50 H LEU 50 9.909 13.244 -5.586 376 HA LEU 50 HA LEU 50 12.672 12.743 -5.597 377 HB2 LEU 50 1HB LEU 50 11.326 15.224 -4.551 378 HB3 LEU 50 2HB LEU 50 12.957 15.084 -5.205 379 HG LEU 50 HG LEU 50 10.385 14.818 -6.763 380 HD11 LEU 50 1HD1 LEU 50 12.262 17.045 -6.237 381 HD12 LEU 50 2HD1 LEU 50 10.526 17.069 -6.542 382 HD13 LEU 50 3HD1 LEU 50 11.654 16.875 -7.884 383 HD21 LEU 50 3HD2 LEU 50 12.071 14.953 -8.700 384 HD22 LEU 50 1HD2 LEU 50 11.884 13.413 -7.860 385 HD23 LEU 50 2HD2 LEU 50 13.267 14.450 -7.505 386 H SER 51 H SER 51 10.385 13.240 -2.975 387 HA SER 51 HA SER 51 12.358 13.453 -0.923 388 HB2 SER 51 1HB SER 51 9.457 12.660 -0.602 389 HB3 SER 51 2HB SER 51 10.517 13.352 0.626 390 HG SER 51 HG SER 51 10.100 14.768 -1.754 391 H TRP 52 H TRP 52 10.223 10.832 -2.021 392 HA TRP 52 HA TRP 52 11.048 8.897 -0.176 393 HB2 TRP 52 1HB TRP 52 9.053 8.587 -1.523 394 HB3 TRP 52 2HB TRP 52 10.014 8.565 -2.999 395 HD1 TRP 52 HD1 TRP 52 9.479 6.439 0.189 396 HE1 TRP 52 HE1 TRP 52 9.987 3.985 -0.396 397 HE3 TRP 52 HE3 TRP 52 11.101 7.070 -4.618 398 HZ2 TRP 52 HZ2 TRP 52 10.949 2.511 -2.603 399 HZ3 TRP 52 HZ3 TRP 52 11.797 5.087 -5.897 400 HH2 TRP 52 HH2 TRP 52 11.723 2.855 -4.909 401 H ARG 53 H ARG 53 12.239 9.592 -3.452 402 HA ARG 53 HA ARG 53 14.136 7.552 -3.611 403 HB2 ARG 53 1HB ARG 53 13.315 9.209 -5.420 404 HB3 ARG 53 2HB ARG 53 14.585 10.267 -4.819 405 HG2 ARG 53 1HG ARG 53 16.246 8.528 -5.300 406 HG3 ARG 53 2HG ARG 53 14.963 7.498 -5.938 407 HD2 ARG 53 1HD ARG 53 16.166 8.651 -7.729 408 HD3 ARG 53 2HD ARG 53 14.475 9.146 -7.660 409 HE ARG 53 HE ARG 53 15.824 10.988 -6.143 410 HH11 ARG 53 2HH1 ARG 53 15.998 9.851 -9.429 411 HH12 ARG 53 1HH1 ARG 53 16.568 11.361 -10.059 412 HH21 ARG 53 2HH2 ARG 53 16.574 12.981 -6.960 413 HH22 ARG 53 1HH2 ARG 53 16.896 13.140 -8.654 414 H GLU 54 H GLU 54 14.483 10.891 -2.444 415 HA GLU 54 HA GLU 54 17.234 10.697 -1.828 416 HB2 GLU 54 1HB GLU 54 15.721 12.794 -2.059 417 HB3 GLU 54 2HB GLU 54 15.347 12.518 -0.364 418 HG2 GLU 54 1HG GLU 54 17.643 12.781 0.253 419 HG3 GLU 54 2HG GLU 54 18.136 12.851 -1.437 420 H ASP 55 H ASP 55 14.313 10.273 0.135 421 HA ASP 55 HA ASP 55 15.490 9.919 2.622 422 HB2 ASP 55 1HB ASP 55 12.988 10.026 1.961 423 HB3 ASP 55 2HB ASP 55 13.122 8.282 1.752 424 H GLN 56 H GLN 56 14.842 7.510 0.098 425 HA GLN 56 HA GLN 56 15.856 5.310 1.581 426 HB2 GLN 56 1HB GLN 56 14.927 5.802 -1.175 427 HB3 GLN 56 2HB GLN 56 16.100 4.503 -1.002 428 HG2 GLN 56 1HG GLN 56 13.639 3.887 -0.883 429 HG3 GLN 56 2HG GLN 56 14.697 3.255 0.378 430 HE21 GLN 56 2HE2 GLN 56 12.607 6.034 -0.309 431 HE22 GLN 56 1HE2 GLN 56 11.981 6.179 1.295 432 H ARG 57 H ARG 57 17.276 7.614 -0.653 433 HA ARG 57 HA ARG 57 19.694 6.313 -1.171 434 HB2 ARG 57 1HB ARG 57 18.829 9.179 -1.169 435 HB3 ARG 57 2HB ARG 57 20.531 8.791 -1.374 436 HG2 ARG 57 1HG ARG 57 20.176 7.724 -3.403 437 HG3 ARG 57 2HG ARG 57 18.456 7.487 -3.087 438 HD2 ARG 57 1HD ARG 57 17.941 9.712 -3.553 439 HD3 ARG 57 2HD ARG 57 19.608 10.241 -3.333 440 HE ARG 57 HE ARG 57 19.305 8.424 -5.522 441 HH11 ARG 57 2HH1 ARG 57 18.995 11.751 -4.544 442 HH12 ARG 57 1HH1 ARG 57 19.214 12.378 -6.144 443 HH21 ARG 57 2HH2 ARG 57 19.594 9.237 -7.634 444 HH22 ARG 57 1HH2 ARG 57 19.553 10.947 -7.901 445 H ILE 58 H ILE 58 18.808 8.557 1.430 446 HA ILE 58 HA ILE 58 21.318 8.756 2.643 447 HB ILE 58 HB ILE 58 18.605 8.877 3.964 448 HG12 ILE 58 1HG1 ILE 58 18.885 10.488 2.115 449 HG13 ILE 58 2HG1 ILE 58 18.793 11.296 3.677 450 HG21 ILE 58 1HG2 ILE 58 21.258 8.996 5.045 451 HG22 ILE 58 2HG2 ILE 58 20.445 10.543 5.271 452 HG23 ILE 58 3HG2 ILE 58 19.707 9.063 5.882 453 HD11 ILE 58 3HD1 ILE 58 20.745 11.602 1.709 454 HD12 ILE 58 1HD1 ILE 58 20.748 12.268 3.342 455 HD13 ILE 58 2HD1 ILE 58 21.523 10.716 3.020 456 H SER 59 H SER 59 18.663 6.477 3.234 457 HA SER 59 HA SER 59 19.998 5.082 5.323 458 HB2 SER 59 1HB SER 59 17.648 4.874 5.320 459 HB3 SER 59 2HB SER 59 17.600 4.462 3.606 460 HG SER 59 HG SER 59 17.479 2.507 4.423 461 H GLN 60 H GLN 60 19.908 4.776 1.846 462 HA GLN 60 HA GLN 60 21.016 2.168 1.690 463 HB2 GLN 60 1HB GLN 60 19.846 3.022 -0.212 464 HB3 GLN 60 2HB GLN 60 20.884 4.439 -0.291 465 HG2 GLN 60 1HG GLN 60 21.396 2.800 -2.036 466 HG3 GLN 60 2HG GLN 60 22.761 3.083 -0.956 467 HE21 GLN 60 2HE2 GLN 60 23.809 1.323 -0.413 468 HE22 GLN 60 1HE2 GLN 60 23.141 -0.262 -0.258 469 H ALA 61 H ALA 61 22.403 5.409 1.729 470 HA ALA 61 HA ALA 61 25.065 4.624 1.152 471 HB1 ALA 61 1HB ALA 61 23.671 7.064 1.845 472 HB2 ALA 61 2HB ALA 61 25.246 6.961 2.632 473 HB3 ALA 61 3HB ALA 61 25.127 6.831 0.877 474 H LYS 62 H LYS 62 23.229 4.971 4.132 475 HA LYS 62 HA LYS 62 25.459 4.665 5.882 476 HB2 LYS 62 1HB LYS 62 22.526 4.177 6.437 477 HB3 LYS 62 2HB LYS 62 23.788 4.393 7.643 478 HG2 LYS 62 1HG LYS 62 23.920 6.649 7.306 479 HG3 LYS 62 2HG LYS 62 23.368 6.542 5.632 480 HD2 LYS 62 1HD LYS 62 21.469 7.387 6.544 481 HD3 LYS 62 2HD LYS 62 21.157 5.679 6.862 482 HE2 LYS 62 1HE LYS 62 22.693 7.225 8.883 483 HE3 LYS 62 2HE LYS 62 20.960 7.520 8.758 484 HZ1 LYS 62 3HZ LYS 62 21.231 4.788 8.738 485 HZ2 LYS 62 1HZ LYS 62 20.694 5.740 10.029 486 HZ3 LYS 62 2HZ LYS 62 22.326 5.312 9.916 487 H LEU 63 H LEU 63 23.230 2.468 4.319 488 HA LEU 63 HA LEU 63 23.649 0.172 5.843 489 HB2 LEU 63 1HB LEU 63 22.066 0.695 3.810 490 HB3 LEU 63 2HB LEU 63 23.378 -0.029 2.881 491 HG LEU 63 HG LEU 63 21.613 -1.646 3.363 492 HD11 LEU 63 1HD1 LEU 63 23.004 -3.412 3.985 493 HD12 LEU 63 2HD1 LEU 63 23.980 -2.395 5.044 494 HD13 LEU 63 3HD1 LEU 63 24.108 -2.223 3.294 495 HD21 LEU 63 3HD2 LEU 63 20.956 -0.543 5.541 496 HD22 LEU 63 1HD2 LEU 63 22.328 -1.376 6.273 497 HD23 LEU 63 2HD2 LEU 63 21.014 -2.306 5.552 498 H LEU 64 H LEU 64 25.362 1.252 2.913 499 HA LEU 64 HA LEU 64 27.243 -0.880 2.963 500 HB2 LEU 64 1HB LEU 64 28.238 0.130 1.127 501 HB3 LEU 64 2HB LEU 64 26.546 0.605 0.996 502 HG LEU 64 HG LEU 64 27.446 2.744 2.294 503 HD11 LEU 64 1HD1 LEU 64 29.736 3.019 0.809 504 HD12 LEU 64 2HD1 LEU 64 29.842 1.358 1.390 505 HD13 LEU 64 3HD1 LEU 64 29.662 2.684 2.539 506 HD21 LEU 64 3HD2 LEU 64 27.286 3.882 0.291 507 HD22 LEU 64 1HD2 LEU 64 26.390 2.404 -0.057 508 HD23 LEU 64 2HD2 LEU 64 28.049 2.584 -0.630 509 H LEU 65 H LEU 65 27.215 2.402 4.227 510 HA LEU 65 HA LEU 65 29.941 2.566 4.919 511 HB2 LEU 65 1HB LEU 65 27.812 4.266 4.986 512 HB3 LEU 65 2HB LEU 65 28.062 3.944 6.701 513 HG LEU 65 HG LEU 65 30.432 4.719 5.087 514 HD11 LEU 65 1HD1 LEU 65 28.259 6.214 4.659 515 HD12 LEU 65 2HD1 LEU 65 29.885 6.889 4.763 516 HD13 LEU 65 3HD1 LEU 65 28.816 6.946 6.165 517 HD21 LEU 65 3HD2 LEU 65 31.277 4.843 7.133 518 HD22 LEU 65 1HD2 LEU 65 29.702 4.456 7.828 519 HD23 LEU 65 2HD2 LEU 65 30.140 6.136 7.517 520 H SER 66 H SER 66 27.209 1.059 6.458 521 HA SER 66 HA SER 66 28.329 0.800 9.051 522 HB2 SER 66 1HB SER 66 25.945 0.572 8.774 523 HB3 SER 66 2HB SER 66 26.155 -0.764 7.642 524 HG SER 66 HG SER 66 25.649 -1.550 9.702 525 H THR 67 H THR 67 28.932 -0.785 6.094 526 HA THR 67 HA THR 67 30.451 -2.881 7.506 527 HB THR 67 HB THR 67 28.586 -3.904 6.322 528 HG1 THR 67 HG1 THR 67 30.973 -4.359 4.837 529 HG21 THR 67 3HG2 THR 67 27.994 -2.430 4.611 530 HG22 THR 67 1HG2 THR 67 28.710 -3.788 3.745 531 HG23 THR 67 2HG2 THR 67 29.646 -2.316 4.006 532 H THR 68 H THR 68 30.796 -0.100 5.887 533 HA THR 68 HA THR 68 33.401 -0.910 4.787 534 HB THR 68 HB THR 68 33.153 0.549 2.886 535 HG1 THR 68 HG1 THR 68 31.863 2.199 3.265 536 HG21 THR 68 3HG2 THR 68 31.562 -1.748 3.320 537 HG22 THR 68 1HG2 THR 68 32.145 -1.104 1.786 538 HG23 THR 68 2HG2 THR 68 30.578 -0.598 2.416 539 H ARG 69 H ARG 69 34.916 0.925 4.541 540 HA ARG 69 HA ARG 69 34.407 3.025 6.544 541 HB2 ARG 69 1HB ARG 69 36.767 2.954 7.150 542 HB3 ARG 69 2HB ARG 69 36.029 1.373 7.371 543 HG2 ARG 69 1HG ARG 69 37.370 1.930 4.783 544 HG3 ARG 69 2HG ARG 69 38.379 1.672 6.209 545 HD2 ARG 69 1HD ARG 69 37.779 -0.516 6.406 546 HD3 ARG 69 2HD ARG 69 36.168 -0.245 5.742 547 HE ARG 69 HE ARG 69 36.986 -0.730 3.663 548 HH11 ARG 69 2HH1 ARG 69 39.649 -0.061 5.803 549 HH12 ARG 69 1HH1 ARG 69 40.859 -0.532 4.656 550 HH21 ARG 69 2HH2 ARG 69 38.570 -1.353 2.144 551 HH22 ARG 69 1HH2 ARG 69 40.244 -1.266 2.575 552 H MET 70 H MET 70 34.232 2.818 3.493 553 HA MET 70 HA MET 70 36.254 4.370 2.331 554 HB2 MET 70 1HB MET 70 33.389 3.840 1.591 555 HB3 MET 70 2HB MET 70 34.386 4.927 0.634 556 HG2 MET 70 1HG MET 70 35.961 3.144 0.192 557 HG3 MET 70 2HG MET 70 35.040 2.049 1.220 558 HE1 MET 70 3HE MET 70 32.724 0.890 0.475 559 HE2 MET 70 1HE MET 70 32.143 2.545 0.662 560 HE3 MET 70 2HE MET 70 31.719 1.620 -0.778 561 HA PRO 71 HA PRO 71 35.495 8.498 3.608 562 HB2 PRO 71 1HB PRO 71 36.052 9.893 1.347 563 HB3 PRO 71 2HB PRO 71 37.300 9.114 2.327 564 HG2 PRO 71 1HG PRO 71 36.001 8.159 -0.195 565 HG3 PRO 71 2HG PRO 71 37.711 8.107 0.272 566 HD2 PRO 71 1HD PRO 71 36.085 5.949 0.454 567 HD3 PRO 71 2HD PRO 71 37.426 6.232 1.582 568 H ILE 72 H ILE 72 34.205 10.454 3.179 569 HA ILE 72 HA ILE 72 31.527 9.840 2.589 570 HB ILE 72 HB ILE 72 32.839 12.559 2.705 571 HG12 ILE 72 1HG1 ILE 72 33.157 11.321 4.777 572 HG13 ILE 72 2HG1 ILE 72 31.973 12.599 5.026 573 HG21 ILE 72 1HG2 ILE 72 30.074 11.681 2.267 574 HG22 ILE 72 2HG2 ILE 72 30.271 12.913 3.512 575 HG23 ILE 72 3HG2 ILE 72 30.857 13.212 1.875 576 HD11 ILE 72 3HD1 ILE 72 30.173 10.959 4.827 577 HD12 ILE 72 1HD1 ILE 72 31.369 9.683 4.601 578 HD13 ILE 72 2HD1 ILE 72 31.291 10.558 6.131 579 H ALA 73 H ALA 73 34.129 11.088 0.623 580 HA ALA 73 HA ALA 73 32.591 12.078 -1.524 581 HB1 ALA 73 1HB ALA 73 34.791 12.806 -1.527 582 HB2 ALA 73 2HB ALA 73 35.434 11.188 -1.241 583 HB3 ALA 73 3HB ALA 73 34.779 11.610 -2.823 584 H THR 74 H THR 74 34.129 8.919 -0.987 585 HA THR 74 HA THR 74 33.283 7.782 -3.440 586 HB THR 74 HB THR 74 33.970 6.314 -0.888 587 HG1 THR 74 HG1 THR 74 36.073 6.202 -2.181 588 HG21 THR 74 3HG2 THR 74 32.972 4.814 -2.444 589 HG22 THR 74 1HG2 THR 74 34.714 4.559 -2.542 590 HG23 THR 74 2HG2 THR 74 33.889 5.495 -3.788 591 H VAL 75 H VAL 75 32.027 7.473 -0.122 592 HA VAL 75 HA VAL 75 29.895 5.765 -0.682 593 HB VAL 75 HB VAL 75 30.024 7.919 1.433 594 HG11 VAL 75 1HG1 VAL 75 28.365 6.565 2.620 595 HG12 VAL 75 2HG1 VAL 75 27.747 7.128 1.066 596 HG13 VAL 75 3HG1 VAL 75 28.287 5.459 1.249 597 HG21 VAL 75 3HG2 VAL 75 31.427 5.421 1.118 598 HG22 VAL 75 1HG2 VAL 75 31.624 6.672 2.345 599 HG23 VAL 75 2HG2 VAL 75 30.425 5.399 2.569 600 H GLY 76 H GLY 76 30.094 9.296 -0.804 601 HA2 GLY 76 1HA GLY 76 27.402 9.891 -1.188 602 HA3 GLY 76 2HA GLY 76 28.738 10.852 -1.805 603 H ARG 77 H ARG 77 29.777 8.693 -3.474 604 HA ARG 77 HA ARG 77 28.237 9.221 -5.809 605 HB2 ARG 77 1HB ARG 77 30.717 7.741 -5.155 606 HB3 ARG 77 2HB ARG 77 29.860 7.214 -6.598 607 HG2 ARG 77 1HG ARG 77 31.178 8.777 -7.554 608 HG3 ARG 77 2HG ARG 77 29.856 9.837 -7.060 609 HD2 ARG 77 1HD ARG 77 31.052 10.737 -5.312 610 HD3 ARG 77 2HD ARG 77 32.088 9.320 -5.154 611 HE ARG 77 HE ARG 77 32.522 11.604 -6.839 612 HH11 ARG 77 2HH1 ARG 77 33.202 8.220 -6.384 613 HH12 ARG 77 1HH1 ARG 77 34.671 8.258 -7.302 614 HH21 ARG 77 2HH2 ARG 77 34.454 11.666 -8.050 615 HH22 ARG 77 1HH2 ARG 77 35.382 10.219 -8.249 616 H ASN 78 H ASN 78 28.433 6.562 -3.544 617 HA ASN 78 HA ASN 78 27.165 4.574 -5.051 618 HB2 ASN 78 1HB ASN 78 27.896 4.997 -2.276 619 HB3 ASN 78 2HB ASN 78 26.346 4.171 -2.408 620 HD21 ASN 78 2HD2 ASN 78 29.655 3.805 -2.391 621 HD22 ASN 78 1HD2 ASN 78 29.749 2.195 -3.012 622 H VAL 79 H VAL 79 25.886 7.297 -3.275 623 HA VAL 79 HA VAL 79 23.140 6.378 -3.627 624 HB VAL 79 HB VAL 79 22.562 8.512 -2.421 625 HG11 VAL 79 1HG1 VAL 79 24.388 6.512 -1.098 626 HG12 VAL 79 2HG1 VAL 79 23.423 7.700 -0.219 627 HG13 VAL 79 3HG1 VAL 79 22.627 6.463 -1.193 628 HG21 VAL 79 3HG2 VAL 79 25.543 8.663 -1.984 629 HG22 VAL 79 1HG2 VAL 79 24.616 9.737 -3.032 630 HG23 VAL 79 2HG2 VAL 79 24.322 9.731 -1.293 631 H GLY 80 H GLY 80 25.333 7.829 -5.545 632 HA2 GLY 80 1HA GLY 80 24.854 8.659 -7.700 633 HA3 GLY 80 2HA GLY 80 23.236 9.077 -7.155 634 H PHE 81 H PHE 81 25.275 10.117 -4.802 635 HA PHE 81 HA PHE 81 25.116 12.860 -5.771 636 HB2 PHE 81 1HB PHE 81 25.849 11.709 -3.073 637 HB3 PHE 81 2HB PHE 81 25.840 13.432 -3.439 638 HD1 PHE 81 HD2 PHE 81 23.367 13.391 -5.217 639 HD2 PHE 81 HD1 PHE 81 24.185 11.702 -1.396 640 HE1 PHE 81 HE2 PHE 81 20.973 13.495 -4.662 641 HE2 PHE 81 HE1 PHE 81 21.792 11.803 -0.835 642 HZ PHE 81 HZ PHE 81 20.182 12.702 -2.468 643 H ASP 82 H ASP 82 26.760 13.723 -6.831 644 HA ASP 82 HA ASP 82 29.396 12.532 -6.702 645 HB2 ASP 82 1HB ASP 82 28.140 14.694 -8.370 646 HB3 ASP 82 2HB ASP 82 29.886 14.465 -8.363 647 H ASP 83 H ASP 83 27.757 15.392 -5.548 648 HA ASP 83 HA ASP 83 30.239 16.606 -4.635 649 HB2 ASP 83 1HB ASP 83 27.357 17.500 -4.431 650 HB3 ASP 83 2HB ASP 83 28.722 18.418 -3.802 651 H GLN 84 H GLN 84 31.106 16.081 -2.751 652 HA GLN 84 HA GLN 84 29.857 14.425 -0.851 653 HB2 GLN 84 1HB GLN 84 31.800 15.031 0.605 654 HB3 GLN 84 2HB GLN 84 32.248 14.451 -0.993 655 HG2 GLN 84 1HG GLN 84 32.632 16.735 -1.732 656 HG3 GLN 84 2HG GLN 84 32.143 17.338 -0.150 657 HE21 GLN 84 2HE2 GLN 84 33.446 16.682 1.692 658 HE22 GLN 84 1HE2 GLN 84 35.139 16.418 1.472 659 H LEU 85 H LEU 85 30.278 17.923 -1.020 660 HA LEU 85 HA LEU 85 29.351 18.533 1.566 661 HB2 LEU 85 1HB LEU 85 29.114 20.226 -0.915 662 HB3 LEU 85 2HB LEU 85 29.055 20.789 0.754 663 HG LEU 85 HG LEU 85 31.512 19.397 -0.201 664 HD11 LEU 85 1HD1 LEU 85 31.103 20.954 -1.991 665 HD12 LEU 85 2HD1 LEU 85 32.408 21.566 -0.976 666 HD13 LEU 85 3HD1 LEU 85 30.790 22.253 -0.840 667 HD21 LEU 85 3HD2 LEU 85 31.413 21.849 1.487 668 HD22 LEU 85 1HD2 LEU 85 32.533 20.488 1.536 669 HD23 LEU 85 2HD2 LEU 85 30.903 20.312 2.186 670 H TYR 86 H TYR 86 27.679 18.076 -1.502 671 HA TYR 86 HA TYR 86 25.143 18.985 -0.685 672 HB2 TYR 86 1HB TYR 86 25.611 18.712 -3.028 673 HB3 TYR 86 2HB TYR 86 25.955 17.000 -2.814 674 HD1 TYR 86 HD2 TYR 86 23.114 18.852 -1.324 675 HD2 TYR 86 HD1 TYR 86 24.363 16.071 -4.292 676 HE1 TYR 86 HE2 TYR 86 20.762 18.322 -1.809 677 HE2 TYR 86 HE1 TYR 86 22.014 15.535 -4.787 678 HH TYR 86 HH TYR 86 19.655 15.847 -3.072 679 H PHE 87 H PHE 87 26.593 15.747 -0.689 680 HA PHE 87 HA PHE 87 24.313 14.403 0.308 681 HB2 PHE 87 1HB PHE 87 26.007 13.118 -0.793 682 HB3 PHE 87 2HB PHE 87 27.246 13.686 0.322 683 HD1 PHE 87 HD1 PHE 87 23.908 12.024 0.557 684 HD2 PHE 87 HD2 PHE 87 27.964 12.140 1.844 685 HE1 PHE 87 HE1 PHE 87 23.505 10.066 1.991 686 HE2 PHE 87 HE2 PHE 87 27.567 10.182 3.280 687 HZ PHE 87 HZ PHE 87 25.336 9.142 3.354 688 H SER 88 H SER 88 27.210 15.696 1.897 689 HA SER 88 HA SER 88 26.529 14.851 4.504 690 HB2 SER 88 1HB SER 88 28.796 15.427 4.149 691 HB3 SER 88 2HB SER 88 28.374 16.991 3.451 692 HG SER 88 HG SER 88 27.811 17.728 5.464 693 H ARG 89 H ARG 89 25.831 17.778 2.677 694 HA ARG 89 HA ARG 89 24.787 19.315 4.788 695 HB2 ARG 89 1HB ARG 89 24.533 19.370 1.811 696 HB3 ARG 89 2HB ARG 89 23.444 20.362 2.771 697 HG2 ARG 89 1HG ARG 89 25.236 21.600 3.695 698 HG3 ARG 89 2HG ARG 89 26.432 20.465 3.065 699 HD2 ARG 89 1HD ARG 89 25.855 21.110 0.784 700 HD3 ARG 89 2HD ARG 89 24.631 22.221 1.400 701 HE ARG 89 HE ARG 89 27.469 22.655 1.290 702 HH11 ARG 89 2HH1 ARG 89 24.500 23.529 2.883 703 HH12 ARG 89 1HH1 ARG 89 25.081 25.077 3.403 704 HH21 ARG 89 2HH2 ARG 89 28.247 24.690 1.968 705 HH22 ARG 89 1HH2 ARG 89 27.213 25.736 2.881 706 H VAL 90 H VAL 90 23.139 17.265 2.387 707 HA VAL 90 HA VAL 90 20.555 17.624 3.521 708 HB VAL 90 HB VAL 90 21.557 15.444 1.684 709 HG11 VAL 90 1HG1 VAL 90 19.085 15.312 1.100 710 HG12 VAL 90 2HG1 VAL 90 19.572 14.634 2.654 711 HG13 VAL 90 3HG1 VAL 90 18.796 16.217 2.585 712 HG21 VAL 90 3HG2 VAL 90 21.683 17.105 0.195 713 HG22 VAL 90 1HG2 VAL 90 19.921 17.135 0.247 714 HG23 VAL 90 2HG2 VAL 90 20.852 18.235 1.264 715 H PHE 91 H PHE 91 22.962 15.022 3.717 716 HA PHE 91 HA PHE 91 21.455 13.267 5.303 717 HB2 PHE 91 1HB PHE 91 23.434 12.476 4.181 718 HB3 PHE 91 2HB PHE 91 24.445 13.625 5.051 719 HD1 PHE 91 HD2 PHE 91 24.974 13.277 7.410 720 HD2 PHE 91 HD1 PHE 91 22.712 10.434 5.194 721 HE1 PHE 91 HE2 PHE 91 25.381 11.596 9.159 722 HE2 PHE 91 HE1 PHE 91 23.114 8.748 6.940 723 HZ PHE 91 HZ PHE 91 24.451 9.327 8.926 724 H LYS 92 H LYS 92 23.516 15.988 6.134 725 HA LYS 92 HA LYS 92 23.773 15.570 8.877 726 HB2 LYS 92 1HB LYS 92 25.069 17.273 7.774 727 HB3 LYS 92 2HB LYS 92 23.614 18.138 7.294 728 HG2 LYS 92 1HG LYS 92 23.129 18.562 9.683 729 HG3 LYS 92 2HG LYS 92 24.666 17.797 10.094 730 HD2 LYS 92 1HD LYS 92 25.907 19.538 9.280 731 HD3 LYS 92 2HD LYS 92 24.688 19.990 8.086 732 HE2 LYS 92 1HE LYS 92 24.389 20.396 11.058 733 HE3 LYS 92 2HE LYS 92 24.971 21.632 9.944 734 HZ1 LYS 92 3HZ LYS 92 22.288 20.730 10.436 735 HZ2 LYS 92 1HZ LYS 92 22.670 20.801 8.789 736 HZ3 LYS 92 2HZ LYS 92 22.833 22.179 9.756 737 H LYS 93 H LYS 93 21.225 17.243 7.064 738 HA LYS 93 HA LYS 93 19.730 17.921 9.413 739 HB2 LYS 93 1HB LYS 93 18.713 17.844 6.573 740 HB3 LYS 93 2HB LYS 93 18.077 18.786 7.914 741 HG2 LYS 93 1HG LYS 93 20.539 19.781 7.876 742 HG3 LYS 93 2HG LYS 93 20.426 19.286 6.185 743 HD2 LYS 93 1HD LYS 93 18.430 21.040 7.616 744 HD3 LYS 93 2HD LYS 93 19.711 21.623 6.551 745 HE2 LYS 93 1HE LYS 93 17.522 19.716 5.733 746 HE3 LYS 93 2HE LYS 93 17.502 21.454 5.439 747 HZ1 LYS 93 3HZ LYS 93 18.766 21.184 3.655 748 HZ2 LYS 93 1HZ LYS 93 18.609 19.508 3.830 749 HZ3 LYS 93 2HZ LYS 93 19.928 20.311 4.521 750 H CYS 94 H CYS 94 19.894 15.203 7.276 751 HA CYS 94 HA CYS 94 17.379 14.068 7.613 752 HB2 CYS 94 1HB CYS 94 19.448 13.337 6.166 753 HB3 CYS 94 2HB CYS 94 19.815 12.329 7.560 754 HG CYS 94 HG CYS 94 16.645 12.044 6.578 755 H THR 95 H THR 95 20.316 13.579 9.558 756 HA THR 95 HA THR 95 18.645 12.349 11.646 757 HB THR 95 HB THR 95 20.876 11.557 12.580 758 HG1 THR 95 HG1 THR 95 21.917 13.134 10.899 759 HG21 THR 95 3HG2 THR 95 20.312 10.490 9.824 760 HG22 THR 95 1HG2 THR 95 19.226 10.203 11.182 761 HG23 THR 95 2HG2 THR 95 20.887 9.614 11.242 762 H GLY 96 H GLY 96 20.233 15.191 10.840 763 HA2 GLY 96 1HA GLY 96 20.102 17.143 12.175 764 HA3 GLY 96 2HA GLY 96 20.009 16.127 13.606 765 H ALA 97 H ALA 97 22.372 14.696 11.984 766 HA ALA 97 HA ALA 97 24.492 16.557 12.792 767 HB1 ALA 97 1HB ALA 97 24.910 13.692 13.438 768 HB2 ALA 97 2HB ALA 97 25.519 15.137 14.245 769 HB3 ALA 97 3HB ALA 97 23.850 14.626 14.493 770 H SER 98 H SER 98 26.448 16.323 11.682 771 HA SER 98 HA SER 98 26.240 15.419 9.017 772 HB2 SER 98 1HB SER 98 28.946 15.661 9.441 773 HB3 SER 98 2HB SER 98 27.868 16.984 8.995 774 HG SER 98 HG SER 98 28.507 17.818 10.814 775 HA PRO 99 HA PRO 99 27.520 11.225 9.105 776 HB2 PRO 99 1HB PRO 99 29.186 11.055 6.968 777 HB3 PRO 99 2HB PRO 99 27.435 11.240 6.809 778 HG2 PRO 99 1HG PRO 99 29.585 13.314 6.612 779 HG3 PRO 99 2HG PRO 99 28.151 13.089 5.594 780 HD2 PRO 99 1HD PRO 99 28.265 14.947 7.560 781 HD3 PRO 99 2HD PRO 99 26.757 14.125 7.110 782 H SER 100 H SER 100 30.121 13.597 8.877 783 HA SER 100 HA SER 100 32.237 11.837 9.543 784 HB2 SER 100 1HB SER 100 32.756 13.930 8.475 785 HB3 SER 100 2HB SER 100 31.980 14.843 9.769 786 HG SER 100 HG SER 100 34.478 14.281 9.643 787 H GLU 101 H GLU 101 30.000 13.754 11.444 788 HA GLU 101 HA GLU 101 31.380 13.399 13.925 789 HB2 GLU 101 1HB GLU 101 29.811 15.284 13.444 790 HB3 GLU 101 2HB GLU 101 28.483 14.133 13.481 791 HG2 GLU 101 1HG GLU 101 28.379 14.193 15.693 792 HG3 GLU 101 2HG GLU 101 30.114 13.927 15.852 793 H PHE 102 H PHE 102 28.504 11.922 12.452 794 HA PHE 102 HA PHE 102 27.879 10.183 14.556 795 HB2 PHE 102 1HB PHE 102 26.325 10.643 12.720 796 HB3 PHE 102 2HB PHE 102 27.401 9.827 11.590 797 HD1 PHE 102 HD2 PHE 102 27.655 7.396 11.651 798 HD2 PHE 102 HD1 PHE 102 24.905 9.414 14.198 799 HE1 PHE 102 HE2 PHE 102 26.520 5.262 12.111 800 HE2 PHE 102 HE1 PHE 102 23.767 7.283 14.663 801 HZ PHE 102 HZ PHE 102 24.573 5.203 13.618 802 H ARG 103 H ARG 103 29.948 9.729 11.716 803 HA ARG 103 HA ARG 103 30.560 7.019 12.178 804 HB2 ARG 103 1HB ARG 103 30.978 8.527 10.090 805 HB3 ARG 103 2HB ARG 103 32.503 8.899 10.882 806 HG2 ARG 103 1HG ARG 103 31.647 6.067 10.420 807 HG3 ARG 103 2HG ARG 103 32.453 7.005 9.160 808 HD2 ARG 103 1HD ARG 103 34.155 7.513 11.107 809 HD3 ARG 103 2HD ARG 103 33.502 6.013 11.765 810 HE ARG 103 HE ARG 103 34.205 5.636 9.063 811 HH11 ARG 103 2HH1 ARG 103 35.647 6.094 12.198 812 HH12 ARG 103 1HH1 ARG 103 37.093 5.224 11.804 813 HH21 ARG 103 2HH2 ARG 103 36.103 4.489 8.532 814 HH22 ARG 103 1HH2 ARG 103 37.351 4.312 9.719 815 H ALA 104 H ALA 104 32.109 10.013 13.234 816 HA ALA 104 HA ALA 104 34.404 8.877 14.384 817 HB1 ALA 104 1HB ALA 104 33.093 11.465 14.372 818 HB2 ALA 104 2HB ALA 104 33.861 11.110 15.920 819 HB3 ALA 104 3HB ALA 104 34.810 11.067 14.434 820 H GLY 105 H GLY 105 31.139 9.303 15.602 821 HA2 GLY 105 1HA GLY 105 30.155 8.019 17.301 822 HA3 GLY 105 2HA GLY 105 31.756 7.494 17.801 823 H CYS 106 H CYS 106 32.257 10.629 17.524 824 HA CYS 106 HA CYS 106 31.974 11.093 20.353 825 HB2 CYS 106 1HB CYS 106 33.910 11.848 18.808 826 HB3 CYS 106 2HB CYS 106 32.835 13.165 18.352 827 HG CYS 106 HG CYS 106 32.652 14.244 20.900 828 H GLU 107 H GLU 107 30.524 12.366 21.375 829 HA GLU 107 HA GLU 107 28.490 13.686 19.700 830 HB2 GLU 107 1HB GLU 107 27.639 11.733 20.958 831 HB3 GLU 107 2HB GLU 107 28.138 12.501 22.459 832 HG2 GLU 107 1HG GLU 107 26.620 14.454 21.605 833 HG3 GLU 107 2HG GLU 107 25.882 13.175 20.642 Start of MODEL 14 1 H1 MET 1 H MET 1 1.231 -1.414 -0.053 2 HA MET 1 HA MET 1 2.271 0.193 -2.290 3 HB2 MET 1 1HB MET 1 3.846 -0.915 -0.342 4 HB3 MET 1 2HB MET 1 3.858 -2.173 -1.570 5 HG2 MET 1 1HG MET 1 5.250 -1.025 -2.854 6 HG3 MET 1 2HG MET 1 4.264 0.431 -2.739 7 HE1 MET 1 3HE MET 1 6.844 1.103 -3.222 8 HE2 MET 1 1HE MET 1 6.162 2.453 -2.315 9 HE3 MET 1 2HE MET 1 7.751 1.817 -1.887 10 H ASP 2 H ASP 2 0.934 -0.406 -3.901 11 HA ASP 2 HA ASP 2 -0.003 -3.109 -4.192 12 HB2 ASP 2 1HB ASP 2 -1.387 -1.160 -4.839 13 HB3 ASP 2 2HB ASP 2 -0.226 -0.778 -6.107 14 H ASN 3 H ASN 3 0.478 -4.547 -5.878 15 HA ASN 3 HA ASN 3 3.146 -4.855 -6.544 16 HB2 ASN 3 1HB ASN 3 0.608 -5.966 -7.697 17 HB3 ASN 3 2HB ASN 3 2.153 -6.331 -8.459 18 HD21 ASN 3 2HD2 ASN 3 0.619 -8.334 -7.450 19 HD22 ASN 3 1HD2 ASN 3 1.367 -9.000 -6.042 20 H ARG 4 H ARG 4 0.664 -3.002 -8.134 21 HA ARG 4 HA ARG 4 2.011 -2.666 -10.617 22 HB2 ARG 4 1HB ARG 4 -0.234 -1.184 -9.262 23 HB3 ARG 4 2HB ARG 4 0.415 -0.668 -10.813 24 HG2 ARG 4 1HG ARG 4 -0.073 -3.024 -11.629 25 HG3 ARG 4 2HG ARG 4 -1.016 -3.219 -10.149 26 HD2 ARG 4 1HD ARG 4 -1.511 -0.822 -11.841 27 HD3 ARG 4 2HD ARG 4 -2.120 -2.380 -12.399 28 HE ARG 4 HE ARG 4 -2.815 -1.892 -9.682 29 HH11 ARG 4 2HH1 ARG 4 -3.661 -1.095 -12.964 30 HH12 ARG 4 1HH1 ARG 4 -5.317 -0.749 -12.591 31 HH21 ARG 4 2HH2 ARG 4 -4.994 -1.438 -9.179 32 HH22 ARG 4 1HH2 ARG 4 -6.074 -0.943 -10.438 33 H VAL 5 H VAL 5 1.682 -0.601 -7.739 34 HA VAL 5 HA VAL 5 3.354 1.471 -8.732 35 HB VAL 5 HB VAL 5 2.608 0.816 -5.878 36 HG11 VAL 5 1HG1 VAL 5 3.075 3.556 -6.165 37 HG12 VAL 5 2HG1 VAL 5 4.073 2.386 -5.301 38 HG13 VAL 5 3HG1 VAL 5 4.415 2.762 -6.990 39 HG21 VAL 5 3HG2 VAL 5 0.598 1.257 -6.990 40 HG22 VAL 5 1HG2 VAL 5 1.047 2.810 -6.285 41 HG23 VAL 5 2HG2 VAL 5 1.324 2.506 -8.000 42 H ARG 6 H ARG 6 3.916 -1.369 -6.717 43 HA ARG 6 HA ARG 6 6.482 -0.828 -5.817 44 HB2 ARG 6 1HB ARG 6 4.745 -2.993 -5.730 45 HB3 ARG 6 2HB ARG 6 6.147 -3.616 -6.590 46 HG2 ARG 6 1HG ARG 6 7.327 -3.754 -4.718 47 HG3 ARG 6 2HG ARG 6 6.944 -2.089 -4.278 48 HD2 ARG 6 1HD ARG 6 5.866 -3.078 -2.561 49 HD3 ARG 6 2HD ARG 6 4.582 -3.266 -3.755 50 HE ARG 6 HE ARG 6 6.360 -5.469 -3.844 51 HH11 ARG 6 2HH1 ARG 6 3.794 -4.083 -1.943 52 HH12 ARG 6 1HH1 ARG 6 3.275 -5.604 -1.296 53 HH21 ARG 6 2HH2 ARG 6 5.687 -7.478 -2.998 54 HH22 ARG 6 1HH2 ARG 6 4.353 -7.534 -1.896 55 H GLU 7 H GLU 7 5.392 -1.983 -8.945 56 HA GLU 7 HA GLU 7 7.975 -2.682 -9.924 57 HB2 GLU 7 1HB GLU 7 5.282 -2.263 -11.167 58 HB3 GLU 7 2HB GLU 7 6.702 -2.401 -12.196 59 HG2 GLU 7 1HG GLU 7 6.969 -4.604 -11.775 60 HG3 GLU 7 2HG GLU 7 6.370 -4.475 -10.122 61 H ALA 8 H ALA 8 6.048 0.243 -9.914 62 HA ALA 8 HA ALA 8 7.646 1.674 -11.793 63 HB1 ALA 8 1HB ALA 8 5.646 2.587 -9.735 64 HB2 ALA 8 2HB ALA 8 6.446 3.673 -10.872 65 HB3 ALA 8 3HB ALA 8 5.398 2.387 -11.470 66 H CYS 9 H CYS 9 7.477 1.639 -8.242 67 HA CYS 9 HA CYS 9 9.497 3.571 -7.836 68 HB2 CYS 9 1HB CYS 9 9.400 2.987 -5.544 69 HB3 CYS 9 2HB CYS 9 7.766 2.750 -6.154 70 HG CYS 9 HG CYS 9 9.946 0.137 -5.927 71 H GLN 10 H GLN 10 9.570 0.121 -8.370 72 HA GLN 10 HA GLN 10 12.197 -0.379 -7.482 73 HB2 GLN 10 1HB GLN 10 10.339 -2.056 -8.075 74 HB3 GLN 10 2HB GLN 10 10.875 -1.866 -9.739 75 HG2 GLN 10 1HG GLN 10 11.853 -3.830 -8.651 76 HG3 GLN 10 2HG GLN 10 13.073 -2.668 -9.170 77 HE21 GLN 10 2HE2 GLN 10 14.670 -2.594 -7.774 78 HE22 GLN 10 1HE2 GLN 10 14.527 -2.634 -6.053 79 H TYR 11 H TYR 11 10.898 0.751 -10.544 80 HA TYR 11 HA TYR 11 13.306 0.486 -12.028 81 HB2 TYR 11 1HB TYR 11 11.335 0.628 -13.310 82 HB3 TYR 11 2HB TYR 11 10.767 2.050 -12.441 83 HD1 TYR 11 HD2 TYR 11 13.545 0.941 -14.674 84 HD2 TYR 11 HD1 TYR 11 11.056 4.145 -13.391 85 HE1 TYR 11 HE2 TYR 11 14.516 2.384 -16.413 86 HE2 TYR 11 HE1 TYR 11 12.020 5.597 -15.128 87 HH TYR 11 HH TYR 11 13.562 5.788 -16.721 88 H ILE 12 H ILE 12 11.891 3.071 -10.104 89 HA ILE 12 HA ILE 12 13.621 5.145 -10.863 90 HB ILE 12 HB ILE 12 12.255 4.728 -8.201 91 HG12 ILE 12 1HG1 ILE 12 11.319 6.585 -10.362 92 HG13 ILE 12 2HG1 ILE 12 10.912 4.874 -10.445 93 HG21 ILE 12 1HG2 ILE 12 12.515 7.145 -7.913 94 HG22 ILE 12 2HG2 ILE 12 14.076 6.336 -8.046 95 HG23 ILE 12 3HG2 ILE 12 13.424 7.225 -9.423 96 HD11 ILE 12 3HD1 ILE 12 9.602 6.906 -9.019 97 HD12 ILE 12 1HD1 ILE 12 9.247 5.179 -9.029 98 HD13 ILE 12 2HD1 ILE 12 10.349 5.846 -7.824 99 H SER 13 H SER 13 13.931 2.605 -8.445 100 HA SER 13 HA SER 13 16.153 3.574 -7.061 101 HB2 SER 13 1HB SER 13 16.362 1.423 -6.145 102 HB3 SER 13 2HB SER 13 14.652 1.523 -6.560 103 HG SER 13 HG SER 13 16.669 -0.022 -7.674 104 H ASP 14 H ASP 14 15.919 1.800 -10.086 105 HA ASP 14 HA ASP 14 18.680 1.233 -10.364 106 HB2 ASP 14 1HB ASP 14 16.557 0.316 -11.649 107 HB3 ASP 14 2HB ASP 14 16.944 1.625 -12.763 108 H HIS 15 H HIS 15 16.745 4.042 -10.995 109 HA HIS 15 HA HIS 15 18.966 5.328 -12.418 110 HB2 HIS 15 1HB HIS 15 16.039 5.996 -12.163 111 HB3 HIS 15 2HB HIS 15 17.206 7.158 -12.787 112 HD1 HIS 15 HD1 HIS 15 17.587 7.070 -15.232 113 HD2 HIS 15 HD2 HIS 15 16.041 3.500 -13.774 114 HE1 HIS 15 HE1 HIS 15 17.183 5.635 -17.258 115 H LEU 16 H LEU 16 18.586 4.799 -9.420 116 HA LEU 16 HA LEU 16 18.191 7.233 -8.089 117 HB2 LEU 16 1HB LEU 16 18.157 5.133 -6.909 118 HB3 LEU 16 2HB LEU 16 19.842 4.830 -7.328 119 HG LEU 16 HG LEU 16 19.216 7.264 -5.737 120 HD11 LEU 16 1HD1 LEU 16 18.321 4.707 -4.931 121 HD12 LEU 16 2HD1 LEU 16 18.353 6.202 -3.996 122 HD13 LEU 16 3HD1 LEU 16 19.734 5.107 -3.954 123 HD21 LEU 16 3HD2 LEU 16 21.490 5.496 -6.310 124 HD22 LEU 16 1HD2 LEU 16 21.370 6.039 -4.637 125 HD23 LEU 16 2HD2 LEU 16 21.453 7.221 -5.943 126 H ALA 17 H ALA 17 20.959 5.925 -9.749 127 HA ALA 17 HA ALA 17 22.709 8.027 -8.728 128 HB1 ALA 17 1HB ALA 17 23.656 6.149 -10.813 129 HB2 ALA 17 2HB ALA 17 24.472 6.750 -9.369 130 HB3 ALA 17 3HB ALA 17 23.267 5.470 -9.232 131 H ASP 18 H ASP 18 20.752 7.310 -11.457 132 HA ASP 18 HA ASP 18 22.098 8.810 -13.431 133 HB2 ASP 18 1HB ASP 18 19.340 7.734 -13.088 134 HB3 ASP 18 2HB ASP 18 19.590 8.976 -14.312 135 H SER 19 H SER 19 22.198 10.932 -13.832 136 HA SER 19 HA SER 19 21.211 12.782 -11.893 137 HB2 SER 19 1HB SER 19 22.650 13.130 -14.525 138 HB3 SER 19 2HB SER 19 22.152 14.497 -13.529 139 HG SER 19 HG SER 19 23.952 14.166 -12.509 140 H ASN 20 H ASN 20 20.506 12.256 -15.344 141 HA ASN 20 HA ASN 20 18.237 14.055 -15.219 142 HB2 ASN 20 1HB ASN 20 19.538 12.465 -17.418 143 HB3 ASN 20 2HB ASN 20 17.973 13.238 -17.658 144 HD21 ASN 20 2HD2 ASN 20 17.935 15.595 -16.975 145 HD22 ASN 20 1HD2 ASN 20 19.292 16.550 -17.457 146 H PHE 21 H PHE 21 16.718 13.109 -13.901 147 HA PHE 21 HA PHE 21 15.800 10.410 -14.566 148 HB2 PHE 21 1HB PHE 21 16.208 10.716 -12.225 149 HB3 PHE 21 2HB PHE 21 15.272 12.207 -12.197 150 HD1 PHE 21 HD2 PHE 21 14.483 8.876 -13.658 151 HD2 PHE 21 HD1 PHE 21 13.495 11.845 -10.773 152 HE1 PHE 21 HE2 PHE 21 12.474 7.599 -13.037 153 HE2 PHE 21 HE1 PHE 21 11.485 10.572 -10.146 154 HZ PHE 21 HZ PHE 21 10.971 8.446 -11.279 155 H ASP 22 H ASP 22 13.901 10.017 -15.529 156 HA ASP 22 HA ASP 22 12.107 12.309 -15.995 157 HB2 ASP 22 1HB ASP 22 13.419 11.004 -17.935 158 HB3 ASP 22 2HB ASP 22 12.006 9.960 -17.814 159 H ILE 23 H ILE 23 10.161 12.167 -15.110 160 HA ILE 23 HA ILE 23 9.316 9.863 -13.684 161 HB ILE 23 HB ILE 23 8.687 12.213 -13.096 162 HG12 ILE 23 1HG1 ILE 23 6.407 10.264 -13.498 163 HG13 ILE 23 2HG1 ILE 23 7.509 10.295 -12.126 164 HG21 ILE 23 1HG2 ILE 23 6.927 13.334 -14.256 165 HG22 ILE 23 2HG2 ILE 23 8.148 12.877 -15.444 166 HG23 ILE 23 3HG2 ILE 23 6.659 11.942 -15.306 167 HD11 ILE 23 3HD1 ILE 23 5.080 11.735 -12.526 168 HD12 ILE 23 1HD1 ILE 23 6.101 11.642 -11.091 169 HD13 ILE 23 2HD1 ILE 23 6.414 12.870 -12.318 170 H ALA 24 H ALA 24 8.899 10.923 -16.933 171 HA ALA 24 HA ALA 24 6.497 9.635 -17.602 172 HB1 ALA 24 1HB ALA 24 7.046 10.957 -19.334 173 HB2 ALA 24 2HB ALA 24 8.779 10.771 -19.063 174 HB3 ALA 24 3HB ALA 24 7.883 9.521 -19.924 175 H SER 25 H SER 25 9.850 8.488 -17.645 176 HA SER 25 HA SER 25 9.349 5.981 -18.817 177 HB2 SER 25 1HB SER 25 11.553 7.010 -17.037 178 HB3 SER 25 2HB SER 25 11.531 5.342 -17.610 179 HG SER 25 HG SER 25 12.628 6.352 -19.166 180 H VAL 26 H VAL 26 8.995 7.153 -15.557 181 HA VAL 26 HA VAL 26 8.892 4.655 -14.234 182 HB VAL 26 HB VAL 26 7.585 7.261 -13.440 183 HG11 VAL 26 1HG1 VAL 26 6.662 5.301 -12.278 184 HG12 VAL 26 2HG1 VAL 26 8.289 4.857 -11.758 185 HG13 VAL 26 3HG1 VAL 26 7.558 6.358 -11.188 186 HG21 VAL 26 3HG2 VAL 26 9.719 7.946 -13.292 187 HG22 VAL 26 1HG2 VAL 26 9.765 6.950 -11.837 188 HG23 VAL 26 2HG2 VAL 26 10.355 6.303 -13.367 189 H ALA 27 H ALA 27 6.316 6.805 -15.424 190 HA ALA 27 HA ALA 27 4.187 5.078 -14.710 191 HB1 ALA 27 1HB ALA 27 4.430 7.666 -15.713 192 HB2 ALA 27 2HB ALA 27 3.542 6.775 -16.950 193 HB3 ALA 27 3HB ALA 27 2.939 6.821 -15.294 194 H GLN 28 H GLN 28 5.953 5.602 -17.740 195 HA GLN 28 HA GLN 28 4.414 3.893 -19.350 196 HB2 GLN 28 1HB GLN 28 5.954 5.490 -20.325 197 HB3 GLN 28 2HB GLN 28 7.322 4.684 -19.568 198 HG2 GLN 28 1HG GLN 28 7.205 2.861 -21.003 199 HG3 GLN 28 2HG GLN 28 5.546 3.222 -21.478 200 HE21 GLN 28 2HE2 GLN 28 5.184 5.076 -22.830 201 HE22 GLN 28 1HE2 GLN 28 6.419 5.602 -23.917 202 H HIS 29 H HIS 29 7.150 3.284 -17.226 203 HA HIS 29 HA HIS 29 7.792 0.692 -18.027 204 HB2 HIS 29 1HB HIS 29 9.282 1.763 -16.534 205 HB3 HIS 29 2HB HIS 29 8.003 2.097 -15.370 206 HD1 HIS 29 HD1 HIS 29 8.885 -1.245 -16.940 207 HD2 HIS 29 HD2 HIS 29 8.806 0.624 -13.230 208 HE1 HIS 29 HE1 HIS 29 9.439 -3.042 -15.270 209 H VAL 30 H VAL 30 5.234 1.873 -15.936 210 HA VAL 30 HA VAL 30 4.372 -0.870 -15.369 211 HB VAL 30 HB VAL 30 2.725 0.230 -13.831 212 HG11 VAL 30 1HG1 VAL 30 5.634 0.862 -13.338 213 HG12 VAL 30 2HG1 VAL 30 4.373 0.757 -12.107 214 HG13 VAL 30 3HG1 VAL 30 4.841 -0.680 -13.016 215 HG21 VAL 30 3HG2 VAL 30 2.941 2.548 -13.283 216 HG22 VAL 30 1HG2 VAL 30 4.343 2.721 -14.339 217 HG23 VAL 30 2HG2 VAL 30 2.748 2.424 -15.032 218 H CYS 31 H CYS 31 4.069 0.728 -17.962 219 HA CYS 31 HA CYS 31 2.517 1.069 -19.595 220 HB2 CYS 31 1HB CYS 31 2.368 -1.478 -18.960 221 HB3 CYS 31 2HB CYS 31 0.783 -1.027 -18.344 222 HG CYS 31 HG CYS 31 0.188 0.193 -20.968 223 H LEU 32 H LEU 32 2.244 2.760 -17.344 224 HA LEU 32 HA LEU 32 -0.620 3.357 -17.537 225 HB2 LEU 32 1HB LEU 32 0.745 2.479 -15.191 226 HB3 LEU 32 2HB LEU 32 0.251 4.156 -14.967 227 HG LEU 32 HG LEU 32 -1.556 1.830 -15.620 228 HD11 LEU 32 1HD1 LEU 32 -2.507 2.403 -13.373 229 HD12 LEU 32 2HD1 LEU 32 -1.109 3.448 -13.122 230 HD13 LEU 32 3HD1 LEU 32 -0.885 1.713 -13.343 231 HD21 LEU 32 3HD2 LEU 32 -2.167 4.755 -15.220 232 HD22 LEU 32 1HD2 LEU 32 -3.375 3.472 -15.286 233 HD23 LEU 32 2HD2 LEU 32 -2.381 3.820 -16.700 234 H SER 33 H SER 33 -1.121 5.609 -16.872 235 HA SER 33 HA SER 33 0.755 7.409 -18.084 236 HB2 SER 33 1HB SER 33 -2.016 7.614 -16.997 237 HB3 SER 33 2HB SER 33 -1.080 9.100 -17.158 238 HG SER 33 HG SER 33 -0.691 8.353 -19.388 239 HA PRO 34 HA PRO 34 2.877 8.977 -14.579 240 HB2 PRO 34 1HB PRO 34 3.079 11.619 -15.167 241 HB3 PRO 34 2HB PRO 34 4.004 10.374 -16.013 242 HG2 PRO 34 1HG PRO 34 1.487 11.760 -16.851 243 HG3 PRO 34 2HG PRO 34 2.924 11.370 -17.815 244 HD2 PRO 34 1HD PRO 34 0.661 9.885 -17.905 245 HD3 PRO 34 2HD PRO 34 2.275 9.180 -18.124 246 H SER 35 H SER 35 0.032 10.885 -15.517 247 HA SER 35 HA SER 35 -0.274 12.189 -13.021 248 HB2 SER 35 1HB SER 35 -2.519 12.789 -13.845 249 HB3 SER 35 2HB SER 35 -1.288 13.063 -15.077 250 HG SER 35 HG SER 35 -3.210 11.971 -15.834 251 H ARG 36 H ARG 36 -1.826 9.325 -14.436 252 HA ARG 36 HA ARG 36 -3.500 8.790 -12.216 253 HB2 ARG 36 1HB ARG 36 -3.451 7.863 -14.720 254 HB3 ARG 36 2HB ARG 36 -2.575 6.551 -13.943 255 HG2 ARG 36 1HG ARG 36 -4.658 5.722 -13.704 256 HG3 ARG 36 2HG ARG 36 -4.638 6.733 -12.258 257 HD2 ARG 36 1HD ARG 36 -5.523 7.947 -14.826 258 HD3 ARG 36 2HD ARG 36 -6.621 6.842 -13.999 259 HE ARG 36 HE ARG 36 -6.836 8.379 -12.263 260 HH11 ARG 36 2HH1 ARG 36 -4.533 9.463 -14.638 261 HH12 ARG 36 1HH1 ARG 36 -4.494 11.091 -14.047 262 HH21 ARG 36 2HH2 ARG 36 -6.793 10.519 -11.476 263 HH22 ARG 36 1HH2 ARG 36 -5.779 11.691 -12.248 264 H LEU 37 H LEU 37 -0.289 7.639 -13.149 265 HA LEU 37 HA LEU 37 -0.031 5.764 -11.032 266 HB2 LEU 37 1HB LEU 37 1.322 5.541 -12.998 267 HB3 LEU 37 2HB LEU 37 2.013 7.145 -12.760 268 HG LEU 37 HG LEU 37 2.902 6.111 -10.528 269 HD11 LEU 37 1HD1 LEU 37 2.321 3.980 -10.241 270 HD12 LEU 37 2HD1 LEU 37 3.487 3.605 -11.510 271 HD13 LEU 37 3HD1 LEU 37 1.783 3.814 -11.913 272 HD21 LEU 37 3HD2 LEU 37 4.889 6.183 -11.548 273 HD22 LEU 37 1HD2 LEU 37 3.983 6.630 -12.994 274 HD23 LEU 37 2HD2 LEU 37 4.434 4.946 -12.722 275 H SER 38 H SER 38 1.055 9.112 -11.459 276 HA SER 38 HA SER 38 2.493 9.356 -9.072 277 HB2 SER 38 1HB SER 38 2.577 11.003 -10.923 278 HB3 SER 38 2HB SER 38 0.941 11.519 -10.516 279 HG SER 38 HG SER 38 1.981 12.870 -9.271 280 H HIS 39 H HIS 39 -0.935 9.837 -9.771 281 HA HIS 39 HA HIS 39 -1.708 10.936 -7.317 282 HB2 HIS 39 1HB HIS 39 -3.187 10.926 -9.256 283 HB3 HIS 39 2HB HIS 39 -3.281 9.168 -9.203 284 HD1 HIS 39 HD1 HIS 39 -4.902 12.176 -7.952 285 HD2 HIS 39 HD2 HIS 39 -4.650 8.190 -6.808 286 HE1 HIS 39 HE1 HIS 39 -6.794 11.820 -6.334 287 H LEU 40 H LEU 40 -1.648 7.541 -8.375 288 HA LEU 40 HA LEU 40 -2.515 6.520 -5.859 289 HB2 LEU 40 1HB LEU 40 -1.762 5.471 -8.458 290 HB3 LEU 40 2HB LEU 40 -1.166 4.466 -7.139 291 HG LEU 40 HG LEU 40 -4.051 5.287 -7.339 292 HD11 LEU 40 1HD1 LEU 40 -3.440 4.149 -9.417 293 HD12 LEU 40 2HD1 LEU 40 -4.504 3.157 -8.420 294 HD13 LEU 40 3HD1 LEU 40 -2.777 2.806 -8.485 295 HD21 LEU 40 3HD2 LEU 40 -4.212 3.052 -6.073 296 HD22 LEU 40 1HD2 LEU 40 -3.612 4.465 -5.205 297 HD23 LEU 40 2HD2 LEU 40 -2.481 3.250 -5.799 298 H PHE 41 H PHE 41 0.590 7.229 -7.293 299 HA PHE 41 HA PHE 41 2.248 5.750 -5.597 300 HB2 PHE 41 1HB PHE 41 2.653 7.434 -7.712 301 HB3 PHE 41 2HB PHE 41 3.281 8.394 -6.376 302 HD1 PHE 41 HD1 PHE 41 5.215 7.647 -5.108 303 HD2 PHE 41 HD2 PHE 41 3.738 5.408 -8.412 304 HE1 PHE 41 HE1 PHE 41 7.319 6.373 -5.180 305 HE2 PHE 41 HE2 PHE 41 5.839 4.130 -8.490 306 HZ PHE 41 HZ PHE 41 7.632 4.611 -6.872 307 H ARG 42 H ARG 42 1.145 9.122 -5.309 308 HA ARG 42 HA ARG 42 2.399 9.576 -2.806 309 HB2 ARG 42 1HB ARG 42 1.771 11.413 -4.297 310 HB3 ARG 42 2HB ARG 42 0.071 11.006 -4.101 311 HG2 ARG 42 1HG ARG 42 -0.026 11.845 -1.964 312 HG3 ARG 42 2HG ARG 42 1.706 11.646 -1.694 313 HD2 ARG 42 1HD ARG 42 2.157 13.477 -3.253 314 HD3 ARG 42 2HD ARG 42 0.426 13.673 -3.524 315 HE ARG 42 HE ARG 42 0.750 13.921 -0.817 316 HH11 ARG 42 2HH1 ARG 42 2.036 15.516 -3.631 317 HH12 ARG 42 1HH1 ARG 42 2.242 17.040 -2.834 318 HH21 ARG 42 2HH2 ARG 42 1.017 15.922 0.244 319 HH22 ARG 42 1HH2 ARG 42 1.663 17.270 -0.630 320 H GLN 43 H GLN 43 -0.597 8.122 -3.748 321 HA GLN 43 HA GLN 43 -1.865 8.379 -1.183 322 HB2 GLN 43 1HB GLN 43 -2.498 6.827 -3.682 323 HB3 GLN 43 2HB GLN 43 -3.430 6.610 -2.207 324 HG2 GLN 43 1HG GLN 43 -3.042 9.260 -3.575 325 HG3 GLN 43 2HG GLN 43 -4.422 8.197 -3.846 326 HE21 GLN 43 2HE2 GLN 43 -3.072 10.613 -1.896 327 HE22 GLN 43 1HE2 GLN 43 -4.293 10.650 -0.674 328 H GLN 44 H GLN 44 -0.104 5.849 -2.911 329 HA GLN 44 HA GLN 44 -0.445 3.941 -0.776 330 HB2 GLN 44 1HB GLN 44 1.324 3.851 -3.226 331 HB3 GLN 44 2HB GLN 44 1.033 2.506 -2.131 332 HG2 GLN 44 1HG GLN 44 -1.504 3.238 -2.816 333 HG3 GLN 44 2HG GLN 44 -0.610 3.554 -4.302 334 HE21 GLN 44 2HE2 GLN 44 -1.974 1.195 -2.269 335 HE22 GLN 44 1HE2 GLN 44 -1.477 -0.200 -3.158 336 H LEU 45 H LEU 45 2.113 6.054 -1.974 337 HA LEU 45 HA LEU 45 3.969 5.122 0.057 338 HB2 LEU 45 1HB LEU 45 4.242 6.229 -2.476 339 HB3 LEU 45 2HB LEU 45 4.773 7.505 -1.382 340 HG LEU 45 HG LEU 45 5.882 4.729 -1.152 341 HD11 LEU 45 1HD1 LEU 45 7.752 5.486 -2.597 342 HD12 LEU 45 2HD1 LEU 45 6.791 6.899 -3.034 343 HD13 LEU 45 3HD1 LEU 45 6.227 5.283 -3.460 344 HD21 LEU 45 3HD2 LEU 45 6.178 6.670 0.546 345 HD22 LEU 45 1HD2 LEU 45 7.306 7.309 -0.650 346 HD23 LEU 45 2HD2 LEU 45 7.582 5.719 0.061 347 H GLY 46 H GLY 46 1.588 7.532 -0.303 348 HA2 GLY 46 1HA GLY 46 0.854 9.158 1.147 349 HA3 GLY 46 2HA GLY 46 1.958 8.493 2.341 350 H ILE 47 H ILE 47 3.606 9.251 -0.474 351 HA ILE 47 HA ILE 47 4.082 12.036 0.211 352 HB ILE 47 HB ILE 47 6.471 11.814 0.454 353 HG12 ILE 47 1HG1 ILE 47 6.014 8.839 0.141 354 HG13 ILE 47 2HG1 ILE 47 6.816 9.888 -1.022 355 HG21 ILE 47 1HG2 ILE 47 6.578 10.635 2.594 356 HG22 ILE 47 2HG2 ILE 47 5.124 11.624 2.474 357 HG23 ILE 47 3HG2 ILE 47 5.023 9.877 2.254 358 HD11 ILE 47 3HD1 ILE 47 7.775 9.125 1.720 359 HD12 ILE 47 1HD1 ILE 47 8.489 8.696 0.166 360 HD13 ILE 47 2HD1 ILE 47 8.532 10.369 0.725 361 H SER 48 H SER 48 5.835 12.946 -1.328 362 HA SER 48 HA SER 48 4.978 12.344 -4.000 363 HB2 SER 48 1HB SER 48 7.177 14.223 -3.109 364 HB3 SER 48 2HB SER 48 6.358 14.221 -4.671 365 HG SER 48 HG SER 48 5.673 15.633 -2.649 366 H VAL 49 H VAL 49 6.230 11.581 -5.714 367 HA VAL 49 HA VAL 49 7.921 9.443 -5.215 368 HB VAL 49 HB VAL 49 7.960 11.135 -7.717 369 HG11 VAL 49 1HG1 VAL 49 9.776 9.500 -7.544 370 HG12 VAL 49 2HG1 VAL 49 8.593 8.217 -7.281 371 HG13 VAL 49 3HG1 VAL 49 8.638 9.074 -8.822 372 HG21 VAL 49 3HG2 VAL 49 5.856 10.528 -8.087 373 HG22 VAL 49 1HG2 VAL 49 6.354 8.836 -8.047 374 HG23 VAL 49 2HG2 VAL 49 5.820 9.634 -6.567 375 H LEU 50 H LEU 50 8.757 12.797 -6.019 376 HA LEU 50 HA LEU 50 11.541 12.446 -6.137 377 HB2 LEU 50 1HB LEU 50 9.699 14.744 -5.788 378 HB3 LEU 50 2HB LEU 50 11.391 14.989 -5.361 379 HG LEU 50 HG LEU 50 11.975 14.212 -7.686 380 HD11 LEU 50 1HD1 LEU 50 9.085 13.879 -7.758 381 HD12 LEU 50 2HD1 LEU 50 10.331 13.214 -8.813 382 HD13 LEU 50 3HD1 LEU 50 9.705 14.837 -9.103 383 HD21 LEU 50 3HD2 LEU 50 11.730 16.350 -8.595 384 HD22 LEU 50 1HD2 LEU 50 11.739 16.625 -6.853 385 HD23 LEU 50 2HD2 LEU 50 10.215 16.642 -7.740 386 H SER 51 H SER 51 9.356 12.970 -3.451 387 HA SER 51 HA SER 51 11.387 13.539 -1.527 388 HB2 SER 51 1HB SER 51 9.248 14.337 -0.951 389 HB3 SER 51 2HB SER 51 8.473 12.801 -1.339 390 HG SER 51 HG SER 51 9.703 13.619 0.978 391 H TRP 52 H TRP 52 9.564 10.637 -2.423 392 HA TRP 52 HA TRP 52 10.546 8.922 -0.449 393 HB2 TRP 52 1HB TRP 52 8.676 8.225 -1.767 394 HB3 TRP 52 2HB TRP 52 9.594 8.376 -3.263 395 HD1 TRP 52 HD1 TRP 52 9.544 6.178 -0.073 396 HE1 TRP 52 HE1 TRP 52 10.416 3.841 -0.706 397 HE3 TRP 52 HE3 TRP 52 10.802 7.074 -4.946 398 HZ2 TRP 52 HZ2 TRP 52 11.496 2.548 -2.971 399 HZ3 TRP 52 HZ3 TRP 52 11.749 5.234 -6.277 400 HH2 TRP 52 HH2 TRP 52 12.089 3.019 -5.308 401 H ARG 53 H ARG 53 11.848 9.758 -3.627 402 HA ARG 53 HA ARG 53 13.941 7.892 -3.689 403 HB2 ARG 53 1HB ARG 53 13.103 9.337 -5.597 404 HB3 ARG 53 2HB ARG 53 14.035 10.654 -4.898 405 HG2 ARG 53 1HG ARG 53 15.288 9.640 -6.676 406 HG3 ARG 53 2HG ARG 53 16.078 9.295 -5.136 407 HD2 ARG 53 1HD ARG 53 14.096 7.332 -6.160 408 HD3 ARG 53 2HD ARG 53 15.665 7.415 -6.962 409 HE ARG 53 HE ARG 53 16.350 7.252 -4.367 410 HH11 ARG 53 2HH1 ARG 53 14.166 5.393 -6.340 411 HH12 ARG 53 1HH1 ARG 53 14.397 3.928 -5.445 412 HH21 ARG 53 2HH2 ARG 53 16.663 5.329 -3.181 413 HH22 ARG 53 1HH2 ARG 53 15.817 3.893 -3.648 414 H GLU 54 H GLU 54 13.862 11.244 -2.516 415 HA GLU 54 HA GLU 54 16.571 11.403 -1.784 416 HB2 GLU 54 1HB GLU 54 14.850 13.293 -1.999 417 HB3 GLU 54 2HB GLU 54 14.350 12.864 -0.369 418 HG2 GLU 54 1HG GLU 54 16.463 13.434 0.529 419 HG3 GLU 54 2HG GLU 54 17.184 13.565 -1.074 420 H ASP 55 H ASP 55 13.691 10.541 0.104 421 HA ASP 55 HA ASP 55 14.929 10.201 2.581 422 HB2 ASP 55 1HB ASP 55 12.390 10.092 1.810 423 HB3 ASP 55 2HB ASP 55 12.712 8.360 1.807 424 H GLN 56 H GLN 56 14.500 7.928 -0.093 425 HA GLN 56 HA GLN 56 15.598 5.690 1.272 426 HB2 GLN 56 1HB GLN 56 15.265 6.241 -1.680 427 HB3 GLN 56 2HB GLN 56 15.759 4.693 -1.010 428 HG2 GLN 56 1HG GLN 56 13.199 5.996 -0.173 429 HG3 GLN 56 2HG GLN 56 13.300 5.029 -1.643 430 HE21 GLN 56 2HE2 GLN 56 12.470 4.920 1.498 431 HE22 GLN 56 1HE2 GLN 56 12.709 3.239 1.820 432 H ARG 57 H ARG 57 16.940 8.177 -0.833 433 HA ARG 57 HA ARG 57 19.462 7.069 -1.276 434 HB2 ARG 57 1HB ARG 57 18.464 9.903 -1.161 435 HB3 ARG 57 2HB ARG 57 20.164 9.553 -1.444 436 HG2 ARG 57 1HG ARG 57 19.790 8.708 -3.528 437 HG3 ARG 57 2HG ARG 57 18.154 8.174 -3.139 438 HD2 ARG 57 1HD ARG 57 18.336 10.127 -4.731 439 HD3 ARG 57 2HD ARG 57 17.289 10.363 -3.332 440 HE ARG 57 HE ARG 57 19.968 11.284 -2.900 441 HH11 ARG 57 2HH1 ARG 57 16.859 12.109 -4.231 442 HH12 ARG 57 1HH1 ARG 57 17.098 13.818 -4.071 443 HH21 ARG 57 2HH2 ARG 57 20.295 13.531 -2.685 444 HH22 ARG 57 1HH2 ARG 57 19.054 14.626 -3.193 445 H ILE 58 H ILE 58 18.261 9.044 1.399 446 HA ILE 58 HA ILE 58 20.782 9.278 2.705 447 HB ILE 58 HB ILE 58 18.009 9.583 3.863 448 HG12 ILE 58 1HG1 ILE 58 18.379 11.119 2.004 449 HG13 ILE 58 2HG1 ILE 58 18.390 12.002 3.527 450 HG21 ILE 58 1HG2 ILE 58 20.536 9.521 5.121 451 HG22 ILE 58 2HG2 ILE 58 19.986 11.196 5.134 452 HG23 ILE 58 3HG2 ILE 58 18.974 9.931 5.830 453 HD11 ILE 58 3HD1 ILE 58 20.324 12.882 2.932 454 HD12 ILE 58 1HD1 ILE 58 21.048 11.277 3.039 455 HD13 ILE 58 2HD1 ILE 58 20.400 11.853 1.502 456 H SER 59 H SER 59 17.962 7.173 3.175 457 HA SER 59 HA SER 59 18.941 5.793 5.420 458 HB2 SER 59 1HB SER 59 16.650 5.515 5.041 459 HB3 SER 59 2HB SER 59 16.877 5.167 3.327 460 HG SER 59 HG SER 59 16.731 3.168 3.966 461 H GLN 60 H GLN 60 19.333 5.251 1.963 462 HA GLN 60 HA GLN 60 20.613 2.718 2.221 463 HB2 GLN 60 1HB GLN 60 19.490 3.991 0.146 464 HB3 GLN 60 2HB GLN 60 21.170 4.417 -0.150 465 HG2 GLN 60 1HG GLN 60 20.702 2.462 -1.399 466 HG3 GLN 60 2HG GLN 60 21.725 1.988 -0.044 467 HE21 GLN 60 2HE2 GLN 60 21.032 0.449 1.300 468 HE22 GLN 60 1HE2 GLN 60 19.463 -0.272 1.260 469 H ALA 61 H ALA 61 21.783 6.035 1.780 470 HA ALA 61 HA ALA 61 24.502 5.491 1.511 471 HB1 ALA 61 1HB ALA 61 23.133 7.725 1.346 472 HB2 ALA 61 2HB ALA 61 23.639 7.905 3.027 473 HB3 ALA 61 3HB ALA 61 24.849 7.743 1.754 474 H LYS 62 H LYS 62 22.599 6.091 4.450 475 HA LYS 62 HA LYS 62 24.787 5.856 6.239 476 HB2 LYS 62 1HB LYS 62 23.098 5.738 7.994 477 HB3 LYS 62 2HB LYS 62 22.699 7.004 6.840 478 HG2 LYS 62 1HG LYS 62 21.030 5.608 5.811 479 HG3 LYS 62 2HG LYS 62 21.490 4.246 6.836 480 HD2 LYS 62 1HD LYS 62 19.603 5.097 7.898 481 HD3 LYS 62 2HD LYS 62 20.933 5.829 8.799 482 HE2 LYS 62 1HE LYS 62 19.998 7.361 6.468 483 HE3 LYS 62 2HE LYS 62 18.830 7.202 7.779 484 HZ1 LYS 62 3HZ LYS 62 21.499 7.886 8.637 485 HZ2 LYS 62 1HZ LYS 62 20.011 8.548 9.095 486 HZ3 LYS 62 2HZ LYS 62 20.763 9.064 7.671 487 H LEU 63 H LEU 63 22.544 3.559 4.840 488 HA LEU 63 HA LEU 63 23.002 1.388 6.552 489 HB2 LEU 63 1HB LEU 63 21.301 1.753 4.596 490 HB3 LEU 63 2HB LEU 63 22.556 0.980 3.629 491 HG LEU 63 HG LEU 63 20.838 -0.611 4.329 492 HD11 LEU 63 1HD1 LEU 63 22.309 -2.294 4.687 493 HD12 LEU 63 2HD1 LEU 63 23.154 -1.435 5.974 494 HD13 LEU 63 3HD1 LEU 63 23.473 -1.030 4.287 495 HD21 LEU 63 3HD2 LEU 63 20.675 0.771 6.629 496 HD22 LEU 63 1HD2 LEU 63 21.697 -0.569 7.150 497 HD23 LEU 63 2HD2 LEU 63 20.111 -0.891 6.448 498 H LEU 64 H LEU 64 24.577 2.252 3.480 499 HA LEU 64 HA LEU 64 26.426 0.096 3.554 500 HB2 LEU 64 1HB LEU 64 26.779 2.697 2.085 501 HB3 LEU 64 2HB LEU 64 27.476 1.128 1.688 502 HG LEU 64 HG LEU 64 24.584 1.028 1.681 503 HD11 LEU 64 1HD1 LEU 64 25.266 3.489 0.997 504 HD12 LEU 64 2HD1 LEU 64 23.996 2.607 0.150 505 HD13 LEU 64 3HD1 LEU 64 25.615 2.702 -0.543 506 HD21 LEU 64 3HD2 LEU 64 24.935 -0.324 -0.102 507 HD22 LEU 64 1HD2 LEU 64 26.567 -0.374 0.565 508 HD23 LEU 64 2HD2 LEU 64 26.197 0.707 -0.779 509 H LEU 65 H LEU 65 26.550 3.467 4.586 510 HA LEU 65 HA LEU 65 29.308 3.522 5.209 511 HB2 LEU 65 1HB LEU 65 27.009 5.253 5.509 512 HB3 LEU 65 2HB LEU 65 28.057 5.320 6.925 513 HG LEU 65 HG LEU 65 29.302 5.616 4.238 514 HD11 LEU 65 1HD1 LEU 65 28.685 7.835 3.946 515 HD12 LEU 65 2HD1 LEU 65 28.088 7.991 5.597 516 HD13 LEU 65 3HD1 LEU 65 27.173 7.056 4.414 517 HD21 LEU 65 3HD2 LEU 65 30.860 6.963 5.419 518 HD22 LEU 65 1HD2 LEU 65 30.565 5.534 6.410 519 HD23 LEU 65 2HD2 LEU 65 29.802 7.069 6.827 520 H SER 66 H SER 66 26.534 2.288 6.865 521 HA SER 66 HA SER 66 27.931 2.102 9.413 522 HB2 SER 66 1HB SER 66 25.507 2.692 9.320 523 HB3 SER 66 2HB SER 66 25.177 1.084 8.675 524 HG SER 66 HG SER 66 25.910 1.861 11.249 525 H THR 67 H THR 67 27.129 0.138 6.672 526 HA THR 67 HA THR 67 27.878 -2.323 8.056 527 HB THR 67 HB THR 67 25.901 -2.141 6.415 528 HG1 THR 67 HG1 THR 67 26.563 -4.293 5.521 529 HG21 THR 67 3HG2 THR 67 27.748 -2.823 4.225 530 HG22 THR 67 1HG2 THR 67 27.750 -1.128 4.709 531 HG23 THR 67 2HG2 THR 67 26.248 -1.896 4.197 532 H THR 68 H THR 68 29.329 0.112 6.246 533 HA THR 68 HA THR 68 31.661 -1.608 5.742 534 HB THR 68 HB THR 68 32.054 -0.752 3.601 535 HG1 THR 68 HG1 THR 68 29.968 1.122 3.658 536 HG21 THR 68 3HG2 THR 68 30.330 -1.669 2.470 537 HG22 THR 68 1HG2 THR 68 29.136 -0.628 3.242 538 HG23 THR 68 2HG2 THR 68 29.726 -2.065 4.078 539 H ARG 69 H ARG 69 33.627 -0.144 5.183 540 HA ARG 69 HA ARG 69 33.613 2.155 7.028 541 HB2 ARG 69 1HB ARG 69 35.985 0.384 6.433 542 HB3 ARG 69 2HB ARG 69 35.871 1.639 7.659 543 HG2 ARG 69 1HG ARG 69 34.211 -0.870 7.652 544 HG3 ARG 69 2HG ARG 69 35.719 -0.672 8.547 545 HD2 ARG 69 1HD ARG 69 34.617 1.378 9.598 546 HD3 ARG 69 2HD ARG 69 33.105 0.756 8.938 547 HE ARG 69 HE ARG 69 33.072 -0.780 10.621 548 HH11 ARG 69 2HH1 ARG 69 36.334 0.372 10.236 549 HH12 ARG 69 1HH1 ARG 69 36.941 -0.496 11.607 550 HH21 ARG 69 2HH2 ARG 69 33.859 -1.927 12.428 551 HH22 ARG 69 1HH2 ARG 69 35.532 -1.804 12.853 552 H MET 70 H MET 70 33.280 1.812 4.004 553 HA MET 70 HA MET 70 35.525 2.850 2.688 554 HB2 MET 70 1HB MET 70 32.582 2.916 2.057 555 HB3 MET 70 2HB MET 70 33.770 3.657 0.994 556 HG2 MET 70 1HG MET 70 34.883 1.504 0.727 557 HG3 MET 70 2HG MET 70 33.703 0.759 1.803 558 HE1 MET 70 3HE MET 70 31.327 0.296 1.307 559 HE2 MET 70 1HE MET 70 30.859 1.947 0.897 560 HE3 MET 70 2HE MET 70 30.475 0.623 -0.203 561 HA PRO 71 HA PRO 71 35.670 7.110 3.730 562 HB2 PRO 71 1HB PRO 71 36.433 8.228 1.376 563 HB3 PRO 71 2HB PRO 71 37.523 7.265 2.380 564 HG2 PRO 71 1HG PRO 71 35.980 6.456 -0.054 565 HG3 PRO 71 2HG PRO 71 37.656 6.079 0.385 566 HD2 PRO 71 1HD PRO 71 35.628 4.318 0.730 567 HD3 PRO 71 2HD PRO 71 37.032 4.381 1.814 568 H ILE 72 H ILE 72 34.783 9.254 3.227 569 HA ILE 72 HA ILE 72 32.022 9.158 2.683 570 HB ILE 72 HB ILE 72 33.785 11.608 2.638 571 HG12 ILE 72 1HG1 ILE 72 34.070 10.293 4.716 572 HG13 ILE 72 2HG1 ILE 72 33.285 11.841 5.011 573 HG21 ILE 72 1HG2 ILE 72 31.853 12.541 1.986 574 HG22 ILE 72 2HG2 ILE 72 30.897 11.147 2.486 575 HG23 ILE 72 3HG2 ILE 72 31.384 12.355 3.676 576 HD11 ILE 72 3HD1 ILE 72 31.107 10.679 5.043 577 HD12 ILE 72 1HD1 ILE 72 31.961 9.145 4.874 578 HD13 ILE 72 2HD1 ILE 72 32.210 10.140 6.309 579 H ALA 73 H ALA 73 34.799 9.816 0.671 580 HA ALA 73 HA ALA 73 33.431 11.009 -1.501 581 HB1 ALA 73 1HB ALA 73 35.754 11.344 -1.427 582 HB2 ALA 73 2HB ALA 73 36.083 9.618 -1.270 583 HB3 ALA 73 3HB ALA 73 35.490 10.267 -2.799 584 H THR 74 H THR 74 34.453 7.663 -0.874 585 HA THR 74 HA THR 74 33.432 6.603 -3.293 586 HB THR 74 HB THR 74 34.003 5.212 -0.669 587 HG1 THR 74 HG1 THR 74 35.921 4.578 -1.895 588 HG21 THR 74 3HG2 THR 74 33.557 4.057 -3.424 589 HG22 THR 74 1HG2 THR 74 32.472 3.896 -2.043 590 HG23 THR 74 2HG2 THR 74 34.069 3.150 -2.001 591 H VAL 75 H VAL 75 32.123 6.720 0.009 592 HA VAL 75 HA VAL 75 29.775 5.293 -0.418 593 HB VAL 75 HB VAL 75 30.200 7.637 1.441 594 HG11 VAL 75 1HG1 VAL 75 28.059 7.452 1.992 595 HG12 VAL 75 2HG1 VAL 75 27.846 6.151 0.819 596 HG13 VAL 75 3HG1 VAL 75 28.339 5.779 2.472 597 HG21 VAL 75 3HG2 VAL 75 31.499 5.226 1.454 598 HG22 VAL 75 1HG2 VAL 75 31.262 6.267 2.858 599 HG23 VAL 75 2HG2 VAL 75 30.149 4.934 2.551 600 H GLY 76 H GLY 76 30.467 8.725 -0.935 601 HA2 GLY 76 1HA GLY 76 27.872 9.604 -1.487 602 HA3 GLY 76 2HA GLY 76 29.340 10.337 -2.116 603 H ARG 77 H ARG 77 30.303 8.219 -3.664 604 HA ARG 77 HA ARG 77 28.953 8.618 -6.071 605 HB2 ARG 77 1HB ARG 77 31.021 6.679 -5.129 606 HB3 ARG 77 2HB ARG 77 30.250 6.400 -6.685 607 HG2 ARG 77 1HG ARG 77 30.955 8.623 -7.428 608 HG3 ARG 77 2HG ARG 77 31.744 8.884 -5.871 609 HD2 ARG 77 1HD ARG 77 33.449 8.206 -7.355 610 HD3 ARG 77 2HD ARG 77 33.091 6.799 -6.354 611 HE ARG 77 HE ARG 77 32.446 5.692 -8.240 612 HH11 ARG 77 2HH1 ARG 77 32.360 9.114 -8.874 613 HH12 ARG 77 1HH1 ARG 77 31.998 8.925 -10.558 614 HH21 ARG 77 2HH2 ARG 77 31.969 5.430 -10.455 615 HH22 ARG 77 1HH2 ARG 77 31.775 6.829 -11.456 616 H ASN 78 H ASN 78 28.583 6.135 -3.621 617 HA ASN 78 HA ASN 78 27.043 4.305 -5.085 618 HB2 ASN 78 1HB ASN 78 27.008 4.923 -2.122 619 HB3 ASN 78 2HB ASN 78 26.249 3.516 -2.862 620 HD21 ASN 78 2HD2 ASN 78 28.431 3.770 -0.888 621 HD22 ASN 78 1HD2 ASN 78 29.755 2.880 -1.554 622 H VAL 79 H VAL 79 26.204 7.293 -3.478 623 HA VAL 79 HA VAL 79 23.357 6.845 -4.023 624 HB VAL 79 HB VAL 79 22.939 8.814 -2.633 625 HG11 VAL 79 1HG1 VAL 79 22.851 6.950 -1.302 626 HG12 VAL 79 2HG1 VAL 79 24.543 6.535 -1.582 627 HG13 VAL 79 3HG1 VAL 79 24.127 7.858 -0.492 628 HG21 VAL 79 3HG2 VAL 79 24.660 10.040 -1.549 629 HG22 VAL 79 1HG2 VAL 79 25.897 8.900 -2.080 630 HG23 VAL 79 2HG2 VAL 79 25.102 9.950 -3.254 631 H GLY 80 H GLY 80 25.628 7.641 -5.948 632 HA2 GLY 80 1HA GLY 80 25.633 8.818 -7.932 633 HA3 GLY 80 2HA GLY 80 24.034 9.422 -7.524 634 H PHE 81 H PHE 81 26.052 10.017 -4.959 635 HA PHE 81 HA PHE 81 26.154 12.834 -5.588 636 HB2 PHE 81 1HB PHE 81 26.689 11.165 -3.170 637 HB3 PHE 81 2HB PHE 81 27.396 12.775 -3.250 638 HD1 PHE 81 HD2 PHE 81 24.094 11.530 -4.431 639 HD2 PHE 81 HD1 PHE 81 26.210 14.077 -1.757 640 HE1 PHE 81 HE2 PHE 81 21.963 12.498 -3.672 641 HE2 PHE 81 HE1 PHE 81 24.083 15.048 -0.993 642 HZ PHE 81 HZ PHE 81 21.956 14.260 -1.951 643 H ASP 82 H ASP 82 27.762 13.718 -6.687 644 HA ASP 82 HA ASP 82 30.280 12.334 -7.010 645 HB2 ASP 82 1HB ASP 82 30.736 13.833 -8.744 646 HB3 ASP 82 2HB ASP 82 28.983 13.674 -8.809 647 H ASP 83 H ASP 83 29.029 15.087 -5.265 648 HA ASP 83 HA ASP 83 31.708 15.874 -4.406 649 HB2 ASP 83 1HB ASP 83 28.984 17.123 -4.164 650 HB3 ASP 83 2HB ASP 83 30.319 17.675 -3.156 651 H GLN 84 H GLN 84 32.566 15.020 -2.643 652 HA GLN 84 HA GLN 84 31.189 13.305 -0.895 653 HB2 GLN 84 1HB GLN 84 33.231 13.439 0.510 654 HB3 GLN 84 2HB GLN 84 33.577 13.105 -1.182 655 HG2 GLN 84 1HG GLN 84 33.739 15.805 -1.155 656 HG3 GLN 84 2HG GLN 84 34.289 15.418 0.475 657 HE21 GLN 84 2HE2 GLN 84 36.022 13.809 0.645 658 HE22 GLN 84 1HE2 GLN 84 37.234 13.768 -0.586 659 H LEU 85 H LEU 85 32.081 16.714 -0.624 660 HA LEU 85 HA LEU 85 31.190 17.032 2.053 661 HB2 LEU 85 1HB LEU 85 32.022 18.812 -0.161 662 HB3 LEU 85 2HB LEU 85 31.031 19.529 1.107 663 HG LEU 85 HG LEU 85 33.428 19.890 1.479 664 HD11 LEU 85 1HD1 LEU 85 33.167 19.760 3.698 665 HD12 LEU 85 2HD1 LEU 85 32.854 18.025 3.660 666 HD13 LEU 85 3HD1 LEU 85 31.552 19.162 3.312 667 HD21 LEU 85 3HD2 LEU 85 33.606 16.897 1.795 668 HD22 LEU 85 1HD2 LEU 85 34.912 18.066 1.987 669 HD23 LEU 85 2HD2 LEU 85 34.197 17.797 0.398 670 H TYR 86 H TYR 86 29.645 17.323 -1.082 671 HA TYR 86 HA TYR 86 27.318 18.673 -0.311 672 HB2 TYR 86 1HB TYR 86 27.824 18.416 -2.643 673 HB3 TYR 86 2HB TYR 86 27.802 16.661 -2.512 674 HD1 TYR 86 HD2 TYR 86 25.357 19.114 -1.153 675 HD2 TYR 86 HD1 TYR 86 26.098 16.021 -3.979 676 HE1 TYR 86 HE2 TYR 86 22.973 19.104 -1.758 677 HE2 TYR 86 HE1 TYR 86 23.717 16.003 -4.593 678 HH TYR 86 HH TYR 86 21.526 18.442 -3.528 679 H PHE 87 H PHE 87 28.106 15.226 -0.315 680 HA PHE 87 HA PHE 87 25.534 14.315 0.430 681 HB2 PHE 87 1HB PHE 87 27.009 12.721 -0.529 682 HB3 PHE 87 2HB PHE 87 28.280 13.088 0.633 683 HD1 PHE 87 HD1 PHE 87 24.719 11.963 0.676 684 HD2 PHE 87 HD2 PHE 87 28.645 11.526 2.263 685 HE1 PHE 87 HE1 PHE 87 23.931 10.126 2.110 686 HE2 PHE 87 HE2 PHE 87 27.863 9.687 3.698 687 HZ PHE 87 HZ PHE 87 25.504 8.984 3.623 688 H SER 88 H SER 88 28.450 15.051 2.310 689 HA SER 88 HA SER 88 27.391 14.313 4.821 690 HB2 SER 88 1HB SER 88 29.269 15.663 5.752 691 HB3 SER 88 2HB SER 88 29.789 14.527 4.507 692 HG SER 88 HG SER 88 30.372 16.996 4.525 693 H ARG 89 H ARG 89 27.409 17.346 3.028 694 HA ARG 89 HA ARG 89 26.443 19.010 5.080 695 HB2 ARG 89 1HB ARG 89 26.582 19.158 2.110 696 HB3 ARG 89 2HB ARG 89 25.497 20.273 2.929 697 HG2 ARG 89 1HG ARG 89 27.234 21.337 4.050 698 HG3 ARG 89 2HG ARG 89 28.350 19.996 3.786 699 HD2 ARG 89 1HD ARG 89 28.584 20.530 1.487 700 HD3 ARG 89 2HD ARG 89 27.231 21.660 1.543 701 HE ARG 89 HE ARG 89 29.950 22.191 2.257 702 HH11 ARG 89 2HH1 ARG 89 26.640 23.073 2.877 703 HH12 ARG 89 1HH1 ARG 89 27.031 24.672 3.418 704 HH21 ARG 89 2HH2 ARG 89 30.478 24.293 2.967 705 HH22 ARG 89 1HH2 ARG 89 29.214 25.365 3.468 706 H VAL 90 H VAL 90 24.716 17.326 2.460 707 HA VAL 90 HA VAL 90 22.133 18.130 3.337 708 HB VAL 90 HB VAL 90 22.933 15.838 1.538 709 HG11 VAL 90 1HG1 VAL 90 20.254 17.044 2.180 710 HG12 VAL 90 2HG1 VAL 90 20.548 16.092 0.723 711 HG13 VAL 90 3HG1 VAL 90 20.755 15.358 2.314 712 HG21 VAL 90 3HG2 VAL 90 22.318 17.350 -0.286 713 HG22 VAL 90 1HG2 VAL 90 21.987 18.627 0.885 714 HG23 VAL 90 2HG2 VAL 90 23.629 18.017 0.687 715 H PHE 91 H PHE 91 24.007 15.137 3.700 716 HA PHE 91 HA PHE 91 22.054 13.660 5.069 717 HB2 PHE 91 1HB PHE 91 24.118 12.697 4.068 718 HB3 PHE 91 2HB PHE 91 25.058 13.441 5.356 719 HD1 PHE 91 HD2 PHE 91 24.948 12.593 7.627 720 HD2 PHE 91 HD1 PHE 91 22.744 10.765 4.479 721 HE1 PHE 91 HE2 PHE 91 24.580 10.613 9.040 722 HE2 PHE 91 HE1 PHE 91 22.371 8.782 5.887 723 HZ PHE 91 HZ PHE 91 23.291 8.703 8.170 724 H LYS 92 H LYS 92 24.480 15.942 6.200 725 HA LYS 92 HA LYS 92 24.258 15.444 8.954 726 HB2 LYS 92 1HB LYS 92 26.093 16.748 8.064 727 HB3 LYS 92 2HB LYS 92 24.982 17.976 7.472 728 HG2 LYS 92 1HG LYS 92 24.905 17.387 10.369 729 HG3 LYS 92 2HG LYS 92 26.332 18.223 9.752 730 HD2 LYS 92 1HD LYS 92 23.998 19.397 8.601 731 HD3 LYS 92 2HD LYS 92 23.790 19.307 10.352 732 HE2 LYS 92 1HE LYS 92 25.535 20.725 10.767 733 HE3 LYS 92 2HE LYS 92 26.399 20.267 9.301 734 HZ1 LYS 92 3HZ LYS 92 24.270 21.439 8.247 735 HZ2 LYS 92 1HZ LYS 92 25.684 22.282 8.635 736 HZ3 LYS 92 2HZ LYS 92 24.367 22.308 9.695 737 H LYS 93 H LYS 93 22.208 17.147 6.746 738 HA LYS 93 HA LYS 93 20.780 18.622 8.759 739 HB2 LYS 93 1HB LYS 93 20.147 18.057 5.858 740 HB3 LYS 93 2HB LYS 93 19.200 19.120 6.890 741 HG2 LYS 93 1HG LYS 93 20.898 20.712 7.016 742 HG3 LYS 93 2HG LYS 93 22.131 19.572 6.471 743 HD2 LYS 93 1HD LYS 93 21.576 19.811 4.273 744 HD3 LYS 93 2HD LYS 93 19.876 20.129 4.625 745 HE2 LYS 93 1HE LYS 93 20.342 22.375 5.250 746 HE3 LYS 93 2HE LYS 93 22.080 22.082 5.249 747 HZ1 LYS 93 3HZ LYS 93 22.203 22.387 3.053 748 HZ2 LYS 93 1HZ LYS 93 20.695 23.140 3.198 749 HZ3 LYS 93 2HZ LYS 93 20.788 21.516 2.736 750 H CYS 94 H CYS 94 20.570 15.480 7.328 751 HA CYS 94 HA CYS 94 17.843 15.023 8.170 752 HB2 CYS 94 1HB CYS 94 19.315 13.949 6.183 753 HB3 CYS 94 2HB CYS 94 19.567 12.729 7.426 754 HG CYS 94 HG CYS 94 16.474 13.750 6.375 755 H THR 95 H THR 95 21.086 14.065 9.194 756 HA THR 95 HA THR 95 19.987 12.624 11.483 757 HB THR 95 HB THR 95 22.484 12.180 11.937 758 HG1 THR 95 HG1 THR 95 22.961 13.920 10.234 759 HG21 THR 95 3HG2 THR 95 20.824 10.578 10.930 760 HG22 THR 95 1HG2 THR 95 22.501 10.304 10.462 761 HG23 THR 95 2HG2 THR 95 21.392 11.096 9.344 762 H GLY 96 H GLY 96 21.201 15.701 10.695 763 HA2 GLY 96 1HA GLY 96 21.206 17.572 12.094 764 HA3 GLY 96 2HA GLY 96 21.042 16.506 13.482 765 H ALA 97 H ALA 97 23.419 15.042 11.962 766 HA ALA 97 HA ALA 97 25.561 16.847 12.827 767 HB1 ALA 97 1HB ALA 97 25.663 13.950 13.587 768 HB2 ALA 97 2HB ALA 97 26.592 15.303 14.233 769 HB3 ALA 97 3HB ALA 97 24.881 15.140 14.628 770 H SER 98 H SER 98 27.616 16.403 11.893 771 HA SER 98 HA SER 98 27.501 15.564 9.202 772 HB2 SER 98 1HB SER 98 29.348 16.835 9.217 773 HB3 SER 98 2HB SER 98 29.450 16.748 10.975 774 HG SER 98 HG SER 98 31.281 15.798 10.206 775 HA PRO 99 HA PRO 99 28.341 11.261 9.272 776 HB2 PRO 99 1HB PRO 99 30.142 10.956 7.263 777 HB3 PRO 99 2HB PRO 99 28.437 11.326 6.977 778 HG2 PRO 99 1HG PRO 99 30.797 13.168 6.997 779 HG3 PRO 99 2HG PRO 99 29.431 13.112 5.868 780 HD2 PRO 99 1HD PRO 99 29.582 14.913 7.885 781 HD3 PRO 99 2HD PRO 99 28.038 14.260 7.301 782 H SER 100 H SER 100 31.180 13.354 9.306 783 HA SER 100 HA SER 100 33.045 11.368 10.085 784 HB2 SER 100 1HB SER 100 33.443 13.763 9.126 785 HB3 SER 100 2HB SER 100 33.368 14.263 10.815 786 HG SER 100 HG SER 100 35.191 13.206 11.232 787 H GLU 101 H GLU 101 30.880 13.483 11.855 788 HA GLU 101 HA GLU 101 32.020 12.945 14.424 789 HB2 GLU 101 1HB GLU 101 30.666 14.990 13.806 790 HB3 GLU 101 2HB GLU 101 29.239 13.964 13.844 791 HG2 GLU 101 1HG GLU 101 29.084 14.581 15.976 792 HG3 GLU 101 2HG GLU 101 30.378 13.418 16.256 793 H PHE 102 H PHE 102 29.114 11.823 12.713 794 HA PHE 102 HA PHE 102 28.143 10.133 14.720 795 HB2 PHE 102 1HB PHE 102 26.984 10.884 12.564 796 HB3 PHE 102 2HB PHE 102 27.853 9.573 11.773 797 HD1 PHE 102 HD2 PHE 102 27.386 7.234 12.383 798 HD2 PHE 102 HD1 PHE 102 25.107 10.466 13.958 799 HE1 PHE 102 HE2 PHE 102 25.624 5.656 13.062 800 HE2 PHE 102 HE1 PHE 102 23.341 8.893 14.640 801 HZ PHE 102 HZ PHE 102 23.598 6.485 14.191 802 H ARG 103 H ARG 103 30.359 9.481 12.031 803 HA ARG 103 HA ARG 103 30.635 6.725 12.413 804 HB2 ARG 103 1HB ARG 103 31.477 8.214 10.482 805 HB3 ARG 103 2HB ARG 103 32.893 8.483 11.490 806 HG2 ARG 103 1HG ARG 103 33.301 6.063 11.539 807 HG3 ARG 103 2HG ARG 103 31.905 5.822 10.487 808 HD2 ARG 103 1HD ARG 103 32.960 7.090 8.727 809 HD3 ARG 103 2HD ARG 103 34.311 7.498 9.783 810 HE ARG 103 HE ARG 103 33.893 5.023 8.369 811 HH11 ARG 103 2HH1 ARG 103 35.494 6.580 11.040 812 HH12 ARG 103 1HH1 ARG 103 36.761 5.403 11.137 813 HH21 ARG 103 2HH2 ARG 103 35.556 3.466 8.487 814 HH22 ARG 103 1HH2 ARG 103 36.796 3.632 9.684 815 H ALA 104 H ALA 104 32.404 9.440 13.834 816 HA ALA 104 HA ALA 104 34.301 7.874 15.237 817 HB1 ALA 104 1HB ALA 104 33.523 10.689 15.116 818 HB2 ALA 104 2HB ALA 104 34.119 10.177 16.696 819 HB3 ALA 104 3HB ALA 104 35.121 9.957 15.262 820 H GLY 105 H GLY 105 31.025 8.843 15.920 821 HA2 GLY 105 1HA GLY 105 29.609 7.822 17.482 822 HA3 GLY 105 2HA GLY 105 31.015 7.102 18.252 823 H CYS 106 H CYS 106 32.017 10.112 17.963 824 HA CYS 106 HA CYS 106 31.571 10.756 20.691 825 HB2 CYS 106 1HB CYS 106 33.570 11.428 19.280 826 HB3 CYS 106 2HB CYS 106 32.538 12.650 18.549 827 HG CYS 106 HG CYS 106 34.208 12.758 21.382 828 H GLU 107 H GLU 107 30.169 12.148 21.647 829 HA GLU 107 HA GLU 107 27.964 13.110 19.980 830 HB2 GLU 107 1HB GLU 107 27.722 11.685 22.156 831 HB3 GLU 107 2HB GLU 107 27.978 13.219 22.975 832 HG2 GLU 107 1HG GLU 107 26.076 14.108 21.521 833 HG3 GLU 107 2HG GLU 107 25.727 12.416 21.169 Start of MODEL 15 1 H1 MET 1 H MET 1 1.779 -1.858 1.605 2 HA MET 1 HA MET 1 2.263 0.269 -0.358 3 HB2 MET 1 1HB MET 1 4.088 -0.834 1.182 4 HB3 MET 1 2HB MET 1 4.061 -2.100 -0.039 5 HG2 MET 1 1HG MET 1 5.792 -0.658 -0.670 6 HG3 MET 1 2HG MET 1 4.449 -0.277 -1.745 7 HE1 MET 1 3HE MET 1 6.661 1.301 -1.792 8 HE2 MET 1 1HE MET 1 5.611 2.671 -2.156 9 HE3 MET 1 2HE MET 1 6.785 2.785 -0.845 10 H ASP 2 H ASP 2 1.465 0.026 -2.329 11 HA ASP 2 HA ASP 2 0.369 -2.489 -3.194 12 HB2 ASP 2 1HB ASP 2 -0.356 -1.267 -5.176 13 HB3 ASP 2 2HB ASP 2 -0.734 -0.344 -3.724 14 H ASN 3 H ASN 3 1.047 -3.765 -4.908 15 HA ASN 3 HA ASN 3 3.834 -3.994 -5.279 16 HB2 ASN 3 1HB ASN 3 1.917 -5.763 -5.540 17 HB3 ASN 3 2HB ASN 3 1.880 -5.199 -7.208 18 HD21 ASN 3 2HD2 ASN 3 4.068 -6.421 -4.719 19 HD22 ASN 3 1HD2 ASN 3 5.123 -7.252 -5.806 20 H ARG 4 H ARG 4 1.317 -2.392 -7.101 21 HA ARG 4 HA ARG 4 2.584 -2.042 -9.549 22 HB2 ARG 4 1HB ARG 4 0.498 -0.547 -8.037 23 HB3 ARG 4 2HB ARG 4 1.226 0.243 -9.428 24 HG2 ARG 4 1HG ARG 4 0.573 -1.634 -10.845 25 HG3 ARG 4 2HG ARG 4 -0.151 -2.435 -9.448 26 HD2 ARG 4 1HD ARG 4 -1.806 -0.746 -9.233 27 HD3 ARG 4 2HD ARG 4 -0.979 0.303 -10.384 28 HE ARG 4 HE ARG 4 -1.553 -1.956 -11.805 29 HH11 ARG 4 2HH1 ARG 4 -3.413 0.320 -9.940 30 HH12 ARG 4 1HH1 ARG 4 -4.850 0.120 -10.886 31 HH21 ARG 4 2HH2 ARG 4 -3.439 -2.229 -13.058 32 HH22 ARG 4 1HH2 ARG 4 -4.864 -1.331 -12.659 33 H VAL 5 H VAL 5 2.675 0.070 -6.685 34 HA VAL 5 HA VAL 5 4.506 1.925 -7.823 35 HB VAL 5 HB VAL 5 3.732 1.406 -4.952 36 HG11 VAL 5 1HG1 VAL 5 5.530 2.588 -4.374 37 HG12 VAL 5 2HG1 VAL 5 5.883 3.009 -6.051 38 HG13 VAL 5 3HG1 VAL 5 4.742 3.979 -5.118 39 HG21 VAL 5 3HG2 VAL 5 2.133 2.386 -6.799 40 HG22 VAL 5 1HG2 VAL 5 2.166 3.065 -5.172 41 HG23 VAL 5 2HG2 VAL 5 3.036 3.867 -6.480 42 H ARG 6 H ARG 6 4.855 -0.919 -5.765 43 HA ARG 6 HA ARG 6 7.513 -0.654 -5.017 44 HB2 ARG 6 1HB ARG 6 5.779 -2.433 -4.333 45 HB3 ARG 6 2HB ARG 6 6.308 -3.307 -5.764 46 HG2 ARG 6 1HG ARG 6 7.617 -4.248 -4.133 47 HG3 ARG 6 2HG ARG 6 8.683 -2.985 -4.753 48 HD2 ARG 6 1HD ARG 6 7.941 -1.506 -2.923 49 HD3 ARG 6 2HD ARG 6 6.950 -2.819 -2.290 50 HE ARG 6 HE ARG 6 9.775 -2.493 -1.985 51 HH11 ARG 6 2HH1 ARG 6 7.204 -4.834 -2.170 52 HH12 ARG 6 1HH1 ARG 6 8.060 -6.038 -1.266 53 HH21 ARG 6 2HH2 ARG 6 10.911 -4.071 -0.793 54 HH22 ARG 6 1HH2 ARG 6 10.168 -5.603 -0.482 55 H GLU 7 H GLU 7 6.126 -1.791 -8.040 56 HA GLU 7 HA GLU 7 8.520 -2.823 -9.147 57 HB2 GLU 7 1HB GLU 7 5.793 -2.278 -10.058 58 HB3 GLU 7 2HB GLU 7 7.002 -2.043 -11.312 59 HG2 GLU 7 1HG GLU 7 6.506 -4.542 -9.716 60 HG3 GLU 7 2HG GLU 7 6.182 -4.286 -11.429 61 H ALA 8 H ALA 8 6.961 0.344 -9.280 62 HA ALA 8 HA ALA 8 8.600 1.548 -11.195 63 HB1 ALA 8 1HB ALA 8 6.707 2.768 -10.668 64 HB2 ALA 8 2HB ALA 8 6.959 2.605 -8.930 65 HB3 ALA 8 3HB ALA 8 7.983 3.690 -9.870 66 H CYS 9 H CYS 9 9.062 1.069 -7.740 67 HA CYS 9 HA CYS 9 11.253 2.768 -7.360 68 HB2 CYS 9 1HB CYS 9 10.103 1.843 -5.459 69 HB3 CYS 9 2HB CYS 9 10.483 0.201 -5.965 70 HG CYS 9 HG CYS 9 12.235 0.303 -4.014 71 H GLN 10 H GLN 10 11.039 -0.491 -8.631 72 HA GLN 10 HA GLN 10 13.760 -1.172 -8.513 73 HB2 GLN 10 1HB GLN 10 11.873 -2.745 -8.993 74 HB3 GLN 10 2HB GLN 10 11.767 -2.053 -10.606 75 HG2 GLN 10 1HG GLN 10 13.003 -4.134 -10.636 76 HG3 GLN 10 2HG GLN 10 14.043 -2.781 -11.078 77 HE21 GLN 10 2HE2 GLN 10 15.941 -3.763 -10.511 78 HE22 GLN 10 1HE2 GLN 10 16.372 -4.122 -8.877 79 H TYR 11 H TYR 11 11.865 0.459 -11.021 80 HA TYR 11 HA TYR 11 13.995 0.650 -12.890 81 HB2 TYR 11 1HB TYR 11 11.766 0.825 -13.724 82 HB3 TYR 11 2HB TYR 11 11.382 2.136 -12.614 83 HD1 TYR 11 HD2 TYR 11 14.071 1.480 -15.136 84 HD2 TYR 11 HD1 TYR 11 11.111 4.161 -13.669 85 HE1 TYR 11 HE2 TYR 11 14.708 3.117 -16.858 86 HE2 TYR 11 HE1 TYR 11 11.738 5.804 -15.388 87 HH TYR 11 HH TYR 11 14.061 6.219 -16.777 88 H ILE 12 H ILE 12 12.593 2.967 -10.585 89 HA ILE 12 HA ILE 12 14.296 5.115 -11.188 90 HB ILE 12 HB ILE 12 12.999 4.508 -8.529 91 HG12 ILE 12 1HG1 ILE 12 11.939 6.216 -10.786 92 HG13 ILE 12 2HG1 ILE 12 11.443 4.551 -10.508 93 HG21 ILE 12 1HG2 ILE 12 14.424 6.860 -9.648 94 HG22 ILE 12 2HG2 ILE 12 13.025 7.154 -8.617 95 HG23 ILE 12 3HG2 ILE 12 14.395 6.231 -8.001 96 HD11 ILE 12 3HD1 ILE 12 10.745 7.011 -9.044 97 HD12 ILE 12 1HD1 ILE 12 9.781 5.574 -9.384 98 HD13 ILE 12 2HD1 ILE 12 10.968 5.551 -8.080 99 H SER 13 H SER 13 14.602 2.463 -8.873 100 HA SER 13 HA SER 13 16.847 3.350 -7.482 101 HB2 SER 13 1HB SER 13 15.649 1.455 -6.650 102 HB3 SER 13 2HB SER 13 15.905 0.556 -8.145 103 HG SER 13 HG SER 13 17.749 1.173 -6.106 104 H ASP 14 H ASP 14 16.594 1.604 -10.537 105 HA ASP 14 HA ASP 14 19.365 1.111 -10.855 106 HB2 ASP 14 1HB ASP 14 16.961 1.007 -12.611 107 HB3 ASP 14 2HB ASP 14 18.540 1.060 -13.391 108 H HIS 15 H HIS 15 17.350 3.869 -11.447 109 HA HIS 15 HA HIS 15 19.573 5.228 -12.815 110 HB2 HIS 15 1HB HIS 15 16.605 5.779 -12.799 111 HB3 HIS 15 2HB HIS 15 17.785 6.914 -13.448 112 HD1 HIS 15 HD1 HIS 15 17.835 6.759 -15.904 113 HD2 HIS 15 HD2 HIS 15 17.226 3.043 -14.148 114 HE1 HIS 15 HE1 HIS 15 17.697 5.128 -17.813 115 H LEU 16 H LEU 16 18.975 4.762 -9.844 116 HA LEU 16 HA LEU 16 18.284 7.148 -8.591 117 HB2 LEU 16 1HB LEU 16 18.720 4.794 -7.621 118 HB3 LEU 16 2HB LEU 16 20.394 5.328 -7.491 119 HG LEU 16 HG LEU 16 19.459 7.291 -6.129 120 HD11 LEU 16 1HD1 LEU 16 17.103 5.416 -6.066 121 HD12 LEU 16 2HD1 LEU 16 17.130 7.075 -6.660 122 HD13 LEU 16 3HD1 LEU 16 17.350 6.751 -4.941 123 HD21 LEU 16 3HD2 LEU 16 19.894 6.146 -4.188 124 HD22 LEU 16 1HD2 LEU 16 20.627 5.067 -5.375 125 HD23 LEU 16 2HD2 LEU 16 19.032 4.700 -4.717 126 H ALA 17 H ALA 17 21.213 6.224 -10.193 127 HA ALA 17 HA ALA 17 22.711 8.460 -9.077 128 HB1 ALA 17 1HB ALA 17 24.294 7.355 -11.033 129 HB2 ALA 17 2HB ALA 17 24.329 6.941 -9.319 130 HB3 ALA 17 3HB ALA 17 23.372 5.974 -10.440 131 H ASP 18 H ASP 18 20.825 7.686 -11.840 132 HA ASP 18 HA ASP 18 21.966 9.398 -13.752 133 HB2 ASP 18 1HB ASP 18 20.067 7.583 -13.941 134 HB3 ASP 18 2HB ASP 18 19.007 8.961 -13.662 135 H SER 19 H SER 19 21.399 11.491 -14.423 136 HA SER 19 HA SER 19 20.515 13.204 -12.241 137 HB2 SER 19 1HB SER 19 21.862 13.728 -14.885 138 HB3 SER 19 2HB SER 19 21.204 15.039 -13.907 139 HG SER 19 HG SER 19 22.539 14.052 -12.161 140 H ASN 20 H ASN 20 19.734 12.691 -15.677 141 HA ASN 20 HA ASN 20 17.348 14.304 -15.477 142 HB2 ASN 20 1HB ASN 20 18.622 12.707 -17.689 143 HB3 ASN 20 2HB ASN 20 17.012 13.398 -17.869 144 HD21 ASN 20 2HD2 ASN 20 16.989 15.793 -17.035 145 HD22 ASN 20 1HD2 ASN 20 18.235 16.785 -17.706 146 H PHE 21 H PHE 21 15.701 13.475 -14.350 147 HA PHE 21 HA PHE 21 15.047 10.631 -14.687 148 HB2 PHE 21 1HB PHE 21 15.396 11.310 -12.374 149 HB3 PHE 21 2HB PHE 21 14.207 12.597 -12.547 150 HD1 PHE 21 HD1 PHE 21 14.077 9.045 -13.642 151 HD2 PHE 21 HD2 PHE 21 12.480 12.068 -11.107 152 HE1 PHE 21 HE1 PHE 21 12.304 7.498 -12.920 153 HE2 PHE 21 HE2 PHE 21 10.705 10.526 -10.381 154 HZ PHE 21 HZ PHE 21 10.616 8.238 -11.286 155 H ASP 22 H ASP 22 13.178 9.995 -15.595 156 HA ASP 22 HA ASP 22 11.274 12.102 -16.387 157 HB2 ASP 22 1HB ASP 22 12.712 10.456 -18.057 158 HB3 ASP 22 2HB ASP 22 11.174 9.609 -17.926 159 H ILE 23 H ILE 23 9.393 11.990 -15.374 160 HA ILE 23 HA ILE 23 8.627 9.770 -13.779 161 HB ILE 23 HB ILE 23 7.966 12.137 -13.321 162 HG12 ILE 23 1HG1 ILE 23 5.571 11.545 -12.703 163 HG13 ILE 23 2HG1 ILE 23 5.834 10.008 -13.520 164 HG21 ILE 23 1HG2 ILE 23 5.937 11.694 -15.504 165 HG22 ILE 23 2HG2 ILE 23 6.130 13.135 -14.508 166 HG23 ILE 23 3HG2 ILE 23 7.381 12.691 -15.668 167 HD11 ILE 23 3HD1 ILE 23 6.344 10.587 -10.867 168 HD12 ILE 23 1HD1 ILE 23 6.887 9.168 -11.762 169 HD13 ILE 23 2HD1 ILE 23 7.936 10.580 -11.624 170 H ALA 24 H ALA 24 7.916 10.767 -17.044 171 HA ALA 24 HA ALA 24 5.604 9.256 -17.513 172 HB1 ALA 24 1HB ALA 24 5.925 10.664 -19.253 173 HB2 ALA 24 2HB ALA 24 7.682 10.524 -19.186 174 HB3 ALA 24 3HB ALA 24 6.724 9.253 -19.946 175 H SER 25 H SER 25 9.030 8.412 -17.831 176 HA SER 25 HA SER 25 8.658 5.861 -18.957 177 HB2 SER 25 1HB SER 25 10.913 7.004 -17.300 178 HB3 SER 25 2HB SER 25 10.978 5.413 -18.056 179 HG SER 25 HG SER 25 11.236 6.315 -19.954 180 H VAL 26 H VAL 26 8.488 7.023 -15.677 181 HA VAL 26 HA VAL 26 8.675 4.492 -14.391 182 HB VAL 26 HB VAL 26 7.363 7.015 -13.370 183 HG11 VAL 26 1HG1 VAL 26 7.678 6.088 -11.171 184 HG12 VAL 26 2HG1 VAL 26 6.780 4.932 -12.156 185 HG13 VAL 26 3HG1 VAL 26 8.497 4.677 -11.840 186 HG21 VAL 26 3HG2 VAL 26 9.399 7.901 -13.273 187 HG22 VAL 26 1HG2 VAL 26 9.877 6.608 -12.174 188 HG23 VAL 26 2HG2 VAL 26 10.112 6.420 -13.912 189 H ALA 27 H ALA 27 5.993 6.450 -15.582 190 HA ALA 27 HA ALA 27 3.917 4.868 -14.483 191 HB1 ALA 27 1HB ALA 27 4.099 7.244 -15.947 192 HB2 ALA 27 2HB ALA 27 3.118 6.153 -16.926 193 HB3 ALA 27 3HB ALA 27 2.646 6.511 -15.265 194 H GLN 28 H GLN 28 5.376 4.958 -17.728 195 HA GLN 28 HA GLN 28 3.807 2.924 -18.854 196 HB2 GLN 28 1HB GLN 28 5.564 2.767 -20.565 197 HB3 GLN 28 2HB GLN 28 5.139 4.438 -20.221 198 HG2 GLN 28 1HG GLN 28 7.124 4.615 -18.774 199 HG3 GLN 28 2HG GLN 28 7.563 2.965 -19.214 200 HE21 GLN 28 2HE2 GLN 28 6.469 5.857 -20.964 201 HE22 GLN 28 1HE2 GLN 28 7.725 5.822 -22.149 202 H HIS 29 H HIS 29 6.794 2.819 -16.999 203 HA HIS 29 HA HIS 29 7.521 0.164 -17.447 204 HB2 HIS 29 1HB HIS 29 9.072 1.590 -16.337 205 HB3 HIS 29 2HB HIS 29 7.918 1.969 -15.061 206 HD1 HIS 29 HD1 HIS 29 8.728 -1.523 -16.251 207 HD2 HIS 29 HD2 HIS 29 9.324 0.926 -12.948 208 HE1 HIS 29 HE1 HIS 29 9.711 -3.012 -14.479 209 H VAL 30 H VAL 30 5.143 1.552 -15.270 210 HA VAL 30 HA VAL 30 4.547 -1.089 -14.156 211 HB VAL 30 HB VAL 30 3.113 0.076 -12.562 212 HG11 VAL 30 1HG1 VAL 30 5.948 0.932 -12.911 213 HG12 VAL 30 2HG1 VAL 30 4.983 1.651 -11.620 214 HG13 VAL 30 3HG1 VAL 30 5.225 -0.096 -11.673 215 HG21 VAL 30 3HG2 VAL 30 2.392 1.882 -14.102 216 HG22 VAL 30 1HG2 VAL 30 2.907 2.476 -12.524 217 HG23 VAL 30 2HG2 VAL 30 3.979 2.629 -13.916 218 H CYS 31 H CYS 31 3.836 0.092 -16.925 219 HA CYS 31 HA CYS 31 2.094 0.060 -18.392 220 HB2 CYS 31 1HB CYS 31 2.278 -2.371 -17.479 221 HB3 CYS 31 2HB CYS 31 0.777 -1.994 -16.642 222 HG CYS 31 HG CYS 31 0.874 -3.353 -19.411 223 H LEU 32 H LEU 32 1.892 2.012 -16.341 224 HA LEU 32 HA LEU 32 -1.011 2.378 -16.337 225 HB2 LEU 32 1HB LEU 32 -0.258 1.434 -14.136 226 HB3 LEU 32 2HB LEU 32 0.685 2.905 -13.905 227 HG LEU 32 HG LEU 32 -1.338 4.234 -13.849 228 HD11 LEU 32 1HD1 LEU 32 -3.121 3.516 -14.960 229 HD12 LEU 32 2HD1 LEU 32 -3.410 2.391 -13.634 230 HD13 LEU 32 3HD1 LEU 32 -2.486 1.872 -15.044 231 HD21 LEU 32 3HD2 LEU 32 -2.108 3.591 -11.737 232 HD22 LEU 32 1HD2 LEU 32 -0.465 2.955 -11.812 233 HD23 LEU 32 2HD2 LEU 32 -1.839 1.877 -12.060 234 H SER 33 H SER 33 -1.628 4.642 -15.827 235 HA SER 33 HA SER 33 -0.001 6.448 -17.338 236 HB2 SER 33 1HB SER 33 -2.662 6.558 -16.006 237 HB3 SER 33 2HB SER 33 -1.850 8.091 -16.322 238 HG SER 33 HG SER 33 -1.611 7.271 -18.538 239 HA PRO 34 HA PRO 34 2.346 8.444 -14.216 240 HB2 PRO 34 1HB PRO 34 2.264 11.043 -14.996 241 HB3 PRO 34 2HB PRO 34 3.191 9.810 -15.859 242 HG2 PRO 34 1HG PRO 34 0.491 10.939 -16.491 243 HG3 PRO 34 2HG PRO 34 1.840 10.586 -17.586 244 HD2 PRO 34 1HD PRO 34 -0.289 8.934 -17.317 245 HD3 PRO 34 2HD PRO 34 1.344 8.336 -17.674 246 H SER 35 H SER 35 -0.737 10.050 -14.941 247 HA SER 35 HA SER 35 -0.879 11.530 -12.535 248 HB2 SER 35 1HB SER 35 -3.279 10.606 -14.108 249 HB3 SER 35 2HB SER 35 -3.086 12.090 -13.175 250 HG SER 35 HG SER 35 -1.558 12.775 -14.733 251 H ARG 36 H ARG 36 -2.295 8.422 -13.510 252 HA ARG 36 HA ARG 36 -3.644 7.943 -11.072 253 HB2 ARG 36 1HB ARG 36 -2.906 6.332 -13.460 254 HB3 ARG 36 2HB ARG 36 -3.316 5.454 -11.993 255 HG2 ARG 36 1HG ARG 36 -5.278 7.459 -12.363 256 HG3 ARG 36 2HG ARG 36 -5.049 6.632 -13.905 257 HD2 ARG 36 1HD ARG 36 -5.266 4.988 -11.436 258 HD3 ARG 36 2HD ARG 36 -6.732 5.727 -12.079 259 HE ARG 36 HE ARG 36 -5.377 4.438 -14.168 260 HH11 ARG 36 2HH1 ARG 36 -7.132 3.686 -11.257 261 HH12 ARG 36 1HH1 ARG 36 -7.679 2.145 -11.829 262 HH21 ARG 36 2HH2 ARG 36 -6.091 2.411 -14.933 263 HH22 ARG 36 1HH2 ARG 36 -7.086 1.420 -13.920 264 H LEU 37 H LEU 37 -0.475 6.924 -12.293 265 HA LEU 37 HA LEU 37 0.210 5.335 -10.055 266 HB2 LEU 37 1HB LEU 37 1.385 4.985 -12.082 267 HB3 LEU 37 2HB LEU 37 1.847 6.683 -12.186 268 HG LEU 37 HG LEU 37 3.380 6.404 -10.321 269 HD11 LEU 37 1HD1 LEU 37 2.217 4.743 -9.028 270 HD12 LEU 37 2HD1 LEU 37 3.823 4.137 -9.430 271 HD13 LEU 37 3HD1 LEU 37 2.414 3.549 -10.311 272 HD21 LEU 37 3HD2 LEU 37 3.655 4.408 -12.557 273 HD22 LEU 37 1HD2 LEU 37 4.940 4.748 -11.398 274 HD23 LEU 37 2HD2 LEU 37 4.344 6.028 -12.455 275 H SER 38 H SER 38 0.889 8.710 -10.898 276 HA SER 38 HA SER 38 2.557 9.319 -8.736 277 HB2 SER 38 1HB SER 38 0.728 11.012 -10.432 278 HB3 SER 38 2HB SER 38 1.704 11.709 -9.139 279 HG SER 38 HG SER 38 3.517 10.591 -10.258 280 H HIS 39 H HIS 39 -0.955 9.347 -9.033 281 HA HIS 39 HA HIS 39 -1.573 10.628 -6.623 282 HB2 HIS 39 1HB HIS 39 -3.205 10.144 -8.438 283 HB3 HIS 39 2HB HIS 39 -3.159 8.442 -7.987 284 HD1 HIS 39 HD1 HIS 39 -4.924 11.525 -7.300 285 HD2 HIS 39 HD2 HIS 39 -4.119 8.015 -5.228 286 HE1 HIS 39 HE1 HIS 39 -6.582 11.464 -5.411 287 H LEU 40 H LEU 40 -1.216 7.161 -7.334 288 HA LEU 40 HA LEU 40 -1.650 6.345 -4.639 289 HB2 LEU 40 1HB LEU 40 -0.544 4.975 -7.071 290 HB3 LEU 40 2HB LEU 40 -0.606 4.176 -5.501 291 HG LEU 40 HG LEU 40 -2.973 5.183 -7.080 292 HD11 LEU 40 1HD1 LEU 40 -1.831 3.145 -7.959 293 HD12 LEU 40 2HD1 LEU 40 -3.501 2.887 -7.455 294 HD13 LEU 40 3HD1 LEU 40 -2.176 2.355 -6.420 295 HD21 LEU 40 3HD2 LEU 40 -4.260 3.929 -5.325 296 HD22 LEU 40 1HD2 LEU 40 -3.484 5.413 -4.769 297 HD23 LEU 40 2HD2 LEU 40 -2.767 3.847 -4.389 298 H PHE 41 H PHE 41 1.158 7.221 -6.526 299 HA PHE 41 HA PHE 41 3.146 6.157 -4.841 300 HB2 PHE 41 1HB PHE 41 3.120 7.508 -7.243 301 HB3 PHE 41 2HB PHE 41 3.867 8.673 -6.155 302 HD1 PHE 41 HD2 PHE 41 5.961 8.111 -4.988 303 HD2 PHE 41 HD1 PHE 41 4.252 5.527 -7.908 304 HE1 PHE 41 HE2 PHE 41 8.106 6.922 -5.187 305 HE2 PHE 41 HE1 PHE 41 6.394 4.334 -8.111 306 HZ PHE 41 HZ PHE 41 8.325 5.032 -6.750 307 H ARG 42 H ARG 42 1.745 9.424 -5.001 308 HA ARG 42 HA ARG 42 3.216 10.441 -2.805 309 HB2 ARG 42 1HB ARG 42 1.278 11.413 -4.667 310 HB3 ARG 42 2HB ARG 42 0.757 11.846 -3.044 311 HG2 ARG 42 1HG ARG 42 3.233 12.642 -2.781 312 HG3 ARG 42 2HG ARG 42 3.186 12.689 -4.544 313 HD2 ARG 42 1HD ARG 42 0.808 13.895 -3.634 314 HD3 ARG 42 2HD ARG 42 2.117 14.554 -2.654 315 HE ARG 42 HE ARG 42 2.834 14.569 -5.389 316 HH11 ARG 42 2HH1 ARG 42 0.795 16.198 -3.085 317 HH12 ARG 42 1HH1 ARG 42 0.802 17.702 -3.945 318 HH21 ARG 42 2HH2 ARG 42 2.850 16.544 -6.531 319 HH22 ARG 42 1HH2 ARG 42 1.971 17.897 -5.906 320 H GLN 43 H GLN 43 0.283 8.605 -3.068 321 HA GLN 43 HA GLN 43 -0.635 9.190 -0.405 322 HB2 GLN 43 1HB GLN 43 -2.292 8.653 -2.054 323 HB3 GLN 43 2HB GLN 43 -1.483 7.143 -2.455 324 HG2 GLN 43 1HG GLN 43 -2.240 6.075 -0.573 325 HG3 GLN 43 2HG GLN 43 -2.444 7.576 0.329 326 HE21 GLN 43 2HE2 GLN 43 -4.341 5.462 0.079 327 HE22 GLN 43 1HE2 GLN 43 -5.739 6.114 -0.700 328 H GLN 44 H GLN 44 1.104 6.568 -2.000 329 HA GLN 44 HA GLN 44 1.196 4.952 0.384 330 HB2 GLN 44 1HB GLN 44 2.216 4.712 -2.406 331 HB3 GLN 44 2HB GLN 44 2.995 3.749 -1.158 332 HG2 GLN 44 1HG GLN 44 0.083 3.709 -1.911 333 HG3 GLN 44 2HG GLN 44 1.280 2.454 -2.230 334 HE21 GLN 44 2HE2 GLN 44 -1.245 2.339 -0.753 335 HE22 GLN 44 1HE2 GLN 44 -0.842 1.770 0.828 336 H LEU 45 H LEU 45 3.405 7.058 -1.392 337 HA LEU 45 HA LEU 45 5.538 6.579 0.524 338 HB2 LEU 45 1HB LEU 45 5.315 8.161 -2.013 339 HB3 LEU 45 2HB LEU 45 6.694 8.354 -0.934 340 HG LEU 45 HG LEU 45 7.284 6.866 -2.728 341 HD11 LEU 45 1HD1 LEU 45 6.840 5.045 -0.396 342 HD12 LEU 45 2HD1 LEU 45 7.948 6.411 -0.277 343 HD13 LEU 45 3HD1 LEU 45 8.226 5.153 -1.481 344 HD21 LEU 45 3HD2 LEU 45 4.987 5.121 -1.852 345 HD22 LEU 45 1HD2 LEU 45 6.117 4.804 -3.169 346 HD23 LEU 45 2HD2 LEU 45 4.984 6.151 -3.285 347 H GLY 46 H GLY 46 2.939 8.734 0.082 348 HA2 GLY 46 1HA GLY 46 2.220 10.502 1.368 349 HA3 GLY 46 2HA GLY 46 3.531 10.142 2.482 350 H ILE 47 H ILE 47 4.785 10.522 -0.579 351 HA ILE 47 HA ILE 47 5.005 13.419 -0.467 352 HB ILE 47 HB ILE 47 7.416 13.473 -0.449 353 HG12 ILE 47 1HG1 ILE 47 7.278 10.464 -0.161 354 HG13 ILE 47 2HG1 ILE 47 7.835 11.338 -1.584 355 HG21 ILE 47 1HG2 ILE 47 6.268 13.533 1.707 356 HG22 ILE 47 2HG2 ILE 47 6.381 11.778 1.819 357 HG23 ILE 47 3HG2 ILE 47 7.846 12.759 1.843 358 HD11 ILE 47 3HD1 ILE 47 9.132 11.389 1.131 359 HD12 ILE 47 1HD1 ILE 47 9.691 10.476 -0.270 360 HD13 ILE 47 2HD1 ILE 47 9.699 12.239 -0.306 361 H SER 48 H SER 48 6.591 14.131 -2.317 362 HA SER 48 HA SER 48 5.521 13.012 -4.734 363 HB2 SER 48 1HB SER 48 6.827 14.772 -5.862 364 HB3 SER 48 2HB SER 48 5.885 15.430 -4.524 365 HG SER 48 HG SER 48 8.469 15.651 -4.906 366 H VAL 49 H VAL 49 6.666 12.030 -6.423 367 HA VAL 49 HA VAL 49 8.506 10.075 -5.738 368 HB VAL 49 HB VAL 49 8.242 11.320 -8.477 369 HG11 VAL 49 1HG1 VAL 49 8.988 9.193 -9.311 370 HG12 VAL 49 2HG1 VAL 49 10.154 9.773 -8.120 371 HG13 VAL 49 3HG1 VAL 49 9.000 8.511 -7.685 372 HG21 VAL 49 3HG2 VAL 49 6.735 8.945 -8.287 373 HG22 VAL 49 1HG2 VAL 49 6.295 9.944 -6.901 374 HG23 VAL 49 2HG2 VAL 49 6.145 10.588 -8.536 375 H LEU 50 H LEU 50 9.057 13.340 -6.956 376 HA LEU 50 HA LEU 50 11.811 13.130 -7.436 377 HB2 LEU 50 1HB LEU 50 9.959 15.060 -7.792 378 HB3 LEU 50 2HB LEU 50 10.817 15.702 -6.393 379 HG LEU 50 HG LEU 50 12.914 15.646 -7.663 380 HD11 LEU 50 1HD1 LEU 50 13.126 14.386 -9.471 381 HD12 LEU 50 2HD1 LEU 50 11.926 15.373 -10.303 382 HD13 LEU 50 3HD1 LEU 50 11.418 13.956 -9.385 383 HD21 LEU 50 3HD2 LEU 50 12.510 17.571 -8.915 384 HD22 LEU 50 1HD2 LEU 50 11.235 17.588 -7.697 385 HD23 LEU 50 2HD2 LEU 50 10.875 17.065 -9.343 386 H SER 51 H SER 51 10.009 13.974 -4.515 387 HA SER 51 HA SER 51 12.328 14.572 -2.962 388 HB2 SER 51 1HB SER 51 10.030 15.446 -2.471 389 HB3 SER 51 2HB SER 51 9.572 13.820 -1.963 390 HG SER 51 HG SER 51 11.805 15.129 -0.841 391 H TRP 52 H TRP 52 10.246 11.737 -3.325 392 HA TRP 52 HA TRP 52 11.367 10.154 -1.310 393 HB2 TRP 52 1HB TRP 52 9.309 9.457 -2.295 394 HB3 TRP 52 2HB TRP 52 10.015 9.426 -3.909 395 HD1 TRP 52 HD1 TRP 52 9.865 7.396 -0.667 396 HE1 TRP 52 HE1 TRP 52 10.687 5.006 -1.155 397 HE3 TRP 52 HE3 TRP 52 11.507 8.067 -5.461 398 HZ2 TRP 52 HZ2 TRP 52 11.875 3.593 -3.290 399 HZ3 TRP 52 HZ3 TRP 52 12.474 6.145 -6.657 400 HH2 TRP 52 HH2 TRP 52 12.653 3.956 -5.591 401 H ARG 53 H ARG 53 12.299 10.597 -4.690 402 HA ARG 53 HA ARG 53 14.223 8.584 -4.868 403 HB2 ARG 53 1HB ARG 53 13.245 10.204 -6.675 404 HB3 ARG 53 2HB ARG 53 14.613 11.219 -6.239 405 HG2 ARG 53 1HG ARG 53 16.011 9.073 -6.642 406 HG3 ARG 53 2HG ARG 53 14.592 8.535 -7.543 407 HD2 ARG 53 1HD ARG 53 16.231 9.609 -9.006 408 HD3 ARG 53 2HD ARG 53 14.719 10.515 -8.953 409 HE ARG 53 HE ARG 53 16.520 11.528 -7.031 410 HH11 ARG 53 2HH1 ARG 53 15.981 11.428 -10.469 411 HH12 ARG 53 1HH1 ARG 53 16.788 12.931 -10.771 412 HH21 ARG 53 2HH2 ARG 53 17.585 13.508 -7.415 413 HH22 ARG 53 1HH2 ARG 53 17.701 14.113 -9.033 414 H GLU 54 H GLU 54 14.567 11.979 -3.879 415 HA GLU 54 HA GLU 54 17.355 11.873 -3.434 416 HB2 GLU 54 1HB GLU 54 15.880 13.942 -3.688 417 HB3 GLU 54 2HB GLU 54 15.442 13.709 -2.002 418 HG2 GLU 54 1HG GLU 54 17.539 14.258 -1.237 419 HG3 GLU 54 2HG GLU 54 18.320 13.840 -2.760 420 H ASP 55 H ASP 55 14.576 11.454 -1.276 421 HA ASP 55 HA ASP 55 16.040 11.163 1.111 422 HB2 ASP 55 1HB ASP 55 13.321 11.073 0.326 423 HB3 ASP 55 2HB ASP 55 13.653 9.574 1.191 424 H GLN 56 H GLN 56 15.041 8.852 -1.350 425 HA GLN 56 HA GLN 56 15.660 6.487 0.011 426 HB2 GLN 56 1HB GLN 56 14.600 7.049 -2.410 427 HB3 GLN 56 2HB GLN 56 16.216 6.552 -2.894 428 HG2 GLN 56 1HG GLN 56 15.499 4.602 -1.107 429 HG3 GLN 56 2HG GLN 56 13.979 4.965 -1.923 430 HE21 GLN 56 2HE2 GLN 56 14.740 5.533 -4.441 431 HE22 GLN 56 1HE2 GLN 56 15.485 4.159 -5.177 432 H ARG 57 H ARG 57 17.675 8.621 -1.959 433 HA ARG 57 HA ARG 57 19.970 7.040 -2.087 434 HB2 ARG 57 1HB ARG 57 19.802 10.056 -1.938 435 HB3 ARG 57 2HB ARG 57 21.184 9.131 -2.508 436 HG2 ARG 57 1HG ARG 57 20.181 8.585 -4.490 437 HG3 ARG 57 2HG ARG 57 18.551 8.720 -3.828 438 HD2 ARG 57 1HD ARG 57 18.570 10.640 -5.034 439 HD3 ARG 57 2HD ARG 57 19.316 11.261 -3.561 440 HE ARG 57 HE ARG 57 21.432 10.422 -5.025 441 HH11 ARG 57 2HH1 ARG 57 18.730 12.513 -5.695 442 HH12 ARG 57 1HH1 ARG 57 19.603 13.494 -6.826 443 HH21 ARG 57 2HH2 ARG 57 22.591 11.706 -6.512 444 HH22 ARG 57 1HH2 ARG 57 21.798 13.034 -7.290 445 H ILE 58 H ILE 58 19.013 9.462 0.328 446 HA ILE 58 HA ILE 58 21.323 9.293 1.917 447 HB ILE 58 HB ILE 58 18.519 9.964 2.817 448 HG12 ILE 58 1HG1 ILE 58 19.253 11.373 0.944 449 HG13 ILE 58 2HG1 ILE 58 19.167 12.301 2.437 450 HG21 ILE 58 1HG2 ILE 58 20.414 11.422 4.267 451 HG22 ILE 58 2HG2 ILE 58 19.408 10.096 4.848 452 HG23 ILE 58 3HG2 ILE 58 21.022 9.768 4.218 453 HD11 ILE 58 3HD1 ILE 58 21.228 12.988 2.043 454 HD12 ILE 58 1HD1 ILE 58 21.782 11.335 2.305 455 HD13 ILE 58 2HD1 ILE 58 21.386 11.884 0.676 456 H SER 59 H SER 59 18.222 7.578 2.125 457 HA SER 59 HA SER 59 18.777 6.135 4.468 458 HB2 SER 59 1HB SER 59 16.514 6.337 3.517 459 HB3 SER 59 2HB SER 59 17.002 5.344 2.144 460 HG SER 59 HG SER 59 17.355 3.629 3.590 461 H GLN 60 H GLN 60 19.489 5.478 1.085 462 HA GLN 60 HA GLN 60 20.404 2.813 1.497 463 HB2 GLN 60 1HB GLN 60 19.655 4.033 -0.696 464 HB3 GLN 60 2HB GLN 60 21.345 4.511 -0.784 465 HG2 GLN 60 1HG GLN 60 21.423 2.603 -2.008 466 HG3 GLN 60 2HG GLN 60 21.741 1.937 -0.407 467 HE21 GLN 60 2HE2 GLN 60 20.490 0.344 0.280 468 HE22 GLN 60 1HE2 GLN 60 18.986 -0.133 -0.425 469 H ALA 61 H ALA 61 21.963 5.971 1.401 470 HA ALA 61 HA ALA 61 24.629 5.175 1.333 471 HB1 ALA 61 1HB ALA 61 23.320 7.568 1.488 472 HB2 ALA 61 2HB ALA 61 24.121 7.479 3.058 473 HB3 ALA 61 3HB ALA 61 25.069 7.356 1.576 474 H LYS 62 H LYS 62 22.379 5.375 4.030 475 HA LYS 62 HA LYS 62 24.312 4.957 6.074 476 HB2 LYS 62 1HB LYS 62 21.321 4.515 6.060 477 HB3 LYS 62 2HB LYS 62 22.333 4.438 7.497 478 HG2 LYS 62 1HG LYS 62 22.640 6.700 7.576 479 HG3 LYS 62 2HG LYS 62 22.428 6.900 5.835 480 HD2 LYS 62 1HD LYS 62 20.441 7.767 6.542 481 HD3 LYS 62 2HD LYS 62 19.975 6.068 6.424 482 HE2 LYS 62 1HE LYS 62 21.003 7.330 8.957 483 HE3 LYS 62 2HE LYS 62 19.291 7.250 8.544 484 HZ1 LYS 62 3HZ LYS 62 19.556 5.368 9.798 485 HZ2 LYS 62 1HZ LYS 62 21.132 5.074 9.256 486 HZ3 LYS 62 2HZ LYS 62 19.814 4.738 8.250 487 H LEU 63 H LEU 63 22.171 2.816 4.251 488 HA LEU 63 HA LEU 63 22.632 0.455 5.668 489 HB2 LEU 63 1HB LEU 63 21.085 1.125 3.577 490 HB3 LEU 63 2HB LEU 63 22.361 0.251 2.733 491 HG LEU 63 HG LEU 63 20.526 -1.239 3.182 492 HD11 LEU 63 1HD1 LEU 63 21.733 -3.013 4.020 493 HD12 LEU 63 2HD1 LEU 63 22.549 -2.027 5.232 494 HD13 LEU 63 3HD1 LEU 63 23.016 -1.905 3.535 495 HD21 LEU 63 3HD2 LEU 63 20.907 -0.778 6.127 496 HD22 LEU 63 1HD2 LEU 63 19.605 -1.640 5.307 497 HD23 LEU 63 2HD2 LEU 63 19.719 0.115 5.176 498 H LEU 64 H LEU 64 24.318 1.753 2.818 499 HA LEU 64 HA LEU 64 26.198 -0.365 2.654 500 HB2 LEU 64 1HB LEU 64 26.585 2.441 1.641 501 HB3 LEU 64 2HB LEU 64 27.330 0.962 1.037 502 HG LEU 64 HG LEU 64 24.442 0.845 0.859 503 HD11 LEU 64 1HD1 LEU 64 25.125 3.386 0.605 504 HD12 LEU 64 2HD1 LEU 64 23.916 2.640 -0.440 505 HD13 LEU 64 3HD1 LEU 64 25.568 2.852 -1.017 506 HD21 LEU 64 3HD2 LEU 64 26.288 0.904 -1.478 507 HD22 LEU 64 1HD2 LEU 64 24.891 -0.127 -1.166 508 HD23 LEU 64 2HD2 LEU 64 26.413 -0.427 -0.327 509 H LEU 65 H LEU 65 26.231 2.803 4.209 510 HA LEU 65 HA LEU 65 28.955 2.741 4.989 511 HB2 LEU 65 1HB LEU 65 26.568 4.359 5.649 512 HB3 LEU 65 2HB LEU 65 27.881 4.369 6.824 513 HG LEU 65 HG LEU 65 28.179 5.121 3.917 514 HD11 LEU 65 1HD1 LEU 65 26.848 6.817 4.801 515 HD12 LEU 65 2HD1 LEU 65 28.490 7.435 4.978 516 HD13 LEU 65 3HD1 LEU 65 27.648 6.758 6.372 517 HD21 LEU 65 3HD2 LEU 65 30.251 4.339 4.815 518 HD22 LEU 65 1HD2 LEU 65 30.032 5.284 6.288 519 HD23 LEU 65 2HD2 LEU 65 30.319 6.100 4.751 520 H SER 66 H SER 66 26.076 1.323 6.278 521 HA SER 66 HA SER 66 27.308 0.761 8.856 522 HB2 SER 66 1HB SER 66 25.088 1.165 9.273 523 HB3 SER 66 2HB SER 66 24.569 0.534 7.711 524 HG SER 66 HG SER 66 24.327 -0.700 9.926 525 H THR 67 H THR 67 26.672 -0.786 5.820 526 HA THR 67 HA THR 67 27.322 -3.427 6.886 527 HB THR 67 HB THR 67 25.450 -3.009 5.180 528 HG1 THR 67 HG1 THR 67 25.823 -5.106 5.301 529 HG21 THR 67 3HG2 THR 67 25.914 -2.473 3.027 530 HG22 THR 67 1HG2 THR 67 27.458 -3.323 3.035 531 HG23 THR 67 2HG2 THR 67 27.332 -1.717 3.753 532 H THR 68 H THR 68 28.879 -0.781 5.490 533 HA THR 68 HA THR 68 31.241 -2.437 4.922 534 HB THR 68 HB THR 68 31.755 -1.346 2.925 535 HG1 THR 68 HG1 THR 68 31.343 0.712 2.680 536 HG21 THR 68 3HG2 THR 68 29.389 -2.657 3.102 537 HG22 THR 68 1HG2 THR 68 30.081 -2.069 1.591 538 HG23 THR 68 2HG2 THR 68 28.860 -1.114 2.433 539 H ARG 69 H ARG 69 33.234 -0.926 4.667 540 HA ARG 69 HA ARG 69 33.102 1.129 6.775 541 HB2 ARG 69 1HB ARG 69 35.386 0.547 7.397 542 HB3 ARG 69 2HB ARG 69 34.342 -0.865 7.503 543 HG2 ARG 69 1HG ARG 69 35.833 -0.419 4.975 544 HG3 ARG 69 2HG ARG 69 36.727 -0.979 6.390 545 HD2 ARG 69 1HD ARG 69 34.187 -2.368 5.788 546 HD3 ARG 69 2HD ARG 69 35.516 -2.632 4.661 547 HE ARG 69 HE ARG 69 36.572 -2.990 7.183 548 HH11 ARG 69 2HH1 ARG 69 34.061 -4.430 5.249 549 HH12 ARG 69 1HH1 ARG 69 34.222 -5.996 5.972 550 HH21 ARG 69 2HH2 ARG 69 36.795 -5.048 8.142 551 HH22 ARG 69 1HH2 ARG 69 35.777 -6.346 7.618 552 H MET 70 H MET 70 32.959 1.157 3.715 553 HA MET 70 HA MET 70 35.283 2.355 2.694 554 HB2 MET 70 1HB MET 70 32.393 2.507 1.848 555 HB3 MET 70 2HB MET 70 33.681 3.302 0.952 556 HG2 MET 70 1HG MET 70 34.763 1.158 0.575 557 HG3 MET 70 2HG MET 70 33.503 0.349 1.505 558 HE1 MET 70 3HE MET 70 31.170 -0.026 0.827 559 HE2 MET 70 1HE MET 70 30.732 1.651 0.502 560 HE3 MET 70 2HE MET 70 30.424 0.409 -0.712 561 HA PRO 71 HA PRO 71 35.258 6.464 4.234 562 HB2 PRO 71 1HB PRO 71 36.198 7.852 2.099 563 HB3 PRO 71 2HB PRO 71 37.216 6.790 3.078 564 HG2 PRO 71 1HG PRO 71 35.902 6.253 0.442 565 HG3 PRO 71 2HG PRO 71 37.542 5.843 0.979 566 HD2 PRO 71 1HD PRO 71 35.525 4.036 0.944 567 HD3 PRO 71 2HD PRO 71 36.831 3.987 2.146 568 H ILE 72 H ILE 72 34.391 8.653 3.884 569 HA ILE 72 HA ILE 72 31.683 8.603 3.126 570 HB ILE 72 HB ILE 72 33.411 11.059 3.429 571 HG12 ILE 72 1HG1 ILE 72 31.868 9.512 5.524 572 HG13 ILE 72 2HG1 ILE 72 33.621 9.606 5.395 573 HG21 ILE 72 1HG2 ILE 72 30.459 10.745 3.921 574 HG22 ILE 72 2HG2 ILE 72 31.395 12.238 3.872 575 HG23 ILE 72 3HG2 ILE 72 31.137 11.310 2.395 576 HD11 ILE 72 3HD1 ILE 72 31.800 11.944 5.915 577 HD12 ILE 72 1HD1 ILE 72 32.708 11.063 7.144 578 HD13 ILE 72 2HD1 ILE 72 33.564 11.965 5.893 579 H ALA 73 H ALA 73 34.590 9.454 1.390 580 HA ALA 73 HA ALA 73 33.391 10.856 -0.749 581 HB1 ALA 73 1HB ALA 73 35.685 11.167 -0.563 582 HB2 ALA 73 2HB ALA 73 36.008 9.440 -0.405 583 HB3 ALA 73 3HB ALA 73 35.537 10.110 -1.967 584 H THR 74 H THR 74 34.314 7.443 -0.377 585 HA THR 74 HA THR 74 33.488 6.618 -2.944 586 HB THR 74 HB THR 74 33.660 4.967 -0.415 587 HG1 THR 74 HG1 THR 74 35.739 4.395 -1.510 588 HG21 THR 74 3HG2 THR 74 34.038 3.099 -2.059 589 HG22 THR 74 1HG2 THR 74 33.521 4.205 -3.330 590 HG23 THR 74 2HG2 THR 74 32.402 3.756 -2.043 591 H VAL 75 H VAL 75 31.850 6.414 0.212 592 HA VAL 75 HA VAL 75 29.485 5.224 -0.692 593 HB VAL 75 HB VAL 75 29.781 7.149 1.618 594 HG11 VAL 75 1HG1 VAL 75 27.866 5.006 1.931 595 HG12 VAL 75 2HG1 VAL 75 27.651 6.747 2.126 596 HG13 VAL 75 3HG1 VAL 75 27.489 6.010 0.532 597 HG21 VAL 75 3HG2 VAL 75 31.106 5.599 2.517 598 HG22 VAL 75 1HG2 VAL 75 29.690 4.550 2.592 599 HG23 VAL 75 2HG2 VAL 75 30.780 4.463 1.208 600 H GLY 76 H GLY 76 30.429 8.625 -0.468 601 HA2 GLY 76 1HA GLY 76 27.978 9.827 -0.997 602 HA3 GLY 76 2HA GLY 76 29.539 10.506 -1.436 603 H ARG 77 H ARG 77 30.222 8.278 -3.200 604 HA ARG 77 HA ARG 77 29.059 9.293 -5.589 605 HB2 ARG 77 1HB ARG 77 30.769 6.848 -5.103 606 HB3 ARG 77 2HB ARG 77 30.332 7.458 -6.694 607 HG2 ARG 77 1HG ARG 77 31.652 9.359 -6.466 608 HG3 ARG 77 2HG ARG 77 31.735 9.204 -4.709 609 HD2 ARG 77 1HD ARG 77 33.850 8.538 -5.507 610 HD3 ARG 77 2HD ARG 77 33.003 7.046 -5.099 611 HE ARG 77 HE ARG 77 32.667 7.760 -7.842 612 HH11 ARG 77 2HH1 ARG 77 34.853 6.282 -5.571 613 HH12 ARG 77 1HH1 ARG 77 35.641 5.305 -6.766 614 HH21 ARG 77 2HH2 ARG 77 33.696 6.480 -9.424 615 HH22 ARG 77 1HH2 ARG 77 34.983 5.419 -8.958 616 H ASN 78 H ASN 78 28.458 6.497 -3.564 617 HA ASN 78 HA ASN 78 26.854 5.033 -5.354 618 HB2 ASN 78 1HB ASN 78 27.219 5.072 -2.388 619 HB3 ASN 78 2HB ASN 78 25.847 4.192 -3.056 620 HD21 ASN 78 2HD2 ASN 78 28.334 3.317 -1.677 621 HD22 ASN 78 1HD2 ASN 78 29.036 2.141 -2.731 622 H VAL 79 H VAL 79 26.170 7.730 -3.241 623 HA VAL 79 HA VAL 79 23.301 7.522 -3.695 624 HB VAL 79 HB VAL 79 23.193 9.585 -2.269 625 HG11 VAL 79 1HG1 VAL 79 23.254 7.049 -1.524 626 HG12 VAL 79 2HG1 VAL 79 24.738 7.570 -0.723 627 HG13 VAL 79 3HG1 VAL 79 23.205 8.358 -0.343 628 HG21 VAL 79 3HG2 VAL 79 25.474 10.391 -2.790 629 HG22 VAL 79 1HG2 VAL 79 25.157 10.294 -1.058 630 HG23 VAL 79 2HG2 VAL 79 26.133 9.055 -1.846 631 H GLY 80 H GLY 80 25.564 8.356 -5.691 632 HA2 GLY 80 1HA GLY 80 25.523 9.617 -7.622 633 HA3 GLY 80 2HA GLY 80 23.926 10.185 -7.160 634 H PHE 81 H PHE 81 26.674 10.523 -5.040 635 HA PHE 81 HA PHE 81 26.719 13.410 -5.625 636 HB2 PHE 81 1HB PHE 81 26.900 12.028 -2.943 637 HB3 PHE 81 2HB PHE 81 27.244 13.737 -3.191 638 HD1 PHE 81 HD2 PHE 81 25.047 14.244 -5.233 639 HD2 PHE 81 HD1 PHE 81 25.064 12.243 -1.476 640 HE1 PHE 81 HE2 PHE 81 22.659 14.764 -4.949 641 HE2 PHE 81 HE1 PHE 81 22.675 12.759 -1.187 642 HZ PHE 81 HZ PHE 81 21.470 14.022 -2.924 643 H ASP 82 H ASP 82 28.604 14.006 -6.439 644 HA ASP 82 HA ASP 82 30.957 12.359 -6.106 645 HB2 ASP 82 1HB ASP 82 30.608 14.982 -7.576 646 HB3 ASP 82 2HB ASP 82 32.013 13.923 -7.675 647 H ASP 83 H ASP 83 29.716 15.396 -4.910 648 HA ASP 83 HA ASP 83 32.228 16.158 -3.694 649 HB2 ASP 83 1HB ASP 83 29.491 17.359 -3.856 650 HB3 ASP 83 2HB ASP 83 30.601 17.919 -2.608 651 H GLN 84 H GLN 84 32.917 15.330 -1.845 652 HA GLN 84 HA GLN 84 31.368 13.655 -0.196 653 HB2 GLN 84 1HB GLN 84 33.738 13.368 -0.218 654 HB3 GLN 84 2HB GLN 84 34.009 15.042 0.251 655 HG2 GLN 84 1HG GLN 84 33.066 14.605 2.443 656 HG3 GLN 84 2HG GLN 84 32.723 12.939 1.978 657 HE21 GLN 84 2HE2 GLN 84 34.928 15.001 3.409 658 HE22 GLN 84 1HE2 GLN 84 36.293 13.943 3.446 659 H LEU 85 H LEU 85 32.269 17.061 0.072 660 HA LEU 85 HA LEU 85 31.182 17.463 2.657 661 HB2 LEU 85 1HB LEU 85 32.063 19.220 0.421 662 HB3 LEU 85 2HB LEU 85 31.098 19.924 1.716 663 HG LEU 85 HG LEU 85 32.842 19.045 3.322 664 HD11 LEU 85 1HD1 LEU 85 34.270 18.542 0.722 665 HD12 LEU 85 2HD1 LEU 85 33.929 17.391 2.013 666 HD13 LEU 85 3HD1 LEU 85 35.095 18.688 2.275 667 HD21 LEU 85 3HD2 LEU 85 34.319 20.911 2.961 668 HD22 LEU 85 1HD2 LEU 85 32.667 21.404 2.589 669 HD23 LEU 85 2HD2 LEU 85 33.796 21.050 1.282 670 H TYR 86 H TYR 86 29.865 17.744 -0.596 671 HA TYR 86 HA TYR 86 27.467 19.044 0.026 672 HB2 TYR 86 1HB TYR 86 28.115 18.858 -2.266 673 HB3 TYR 86 2HB TYR 86 28.175 17.102 -2.174 674 HD1 TYR 86 HD1 TYR 86 25.471 19.203 -0.781 675 HD2 TYR 86 HD2 TYR 86 26.658 16.603 -3.933 676 HE1 TYR 86 HE1 TYR 86 23.140 19.088 -1.556 677 HE2 TYR 86 HE2 TYR 86 24.330 16.482 -4.717 678 HH TYR 86 HH TYR 86 22.112 18.449 -4.207 679 H PHE 87 H PHE 87 28.192 15.571 -0.200 680 HA PHE 87 HA PHE 87 25.621 14.641 0.416 681 HB2 PHE 87 1HB PHE 87 27.205 13.111 -0.513 682 HB3 PHE 87 2HB PHE 87 28.343 13.395 0.800 683 HD1 PHE 87 HD2 PHE 87 24.755 12.399 0.498 684 HD2 PHE 87 HD1 PHE 87 28.560 11.644 2.250 685 HE1 PHE 87 HE2 PHE 87 23.807 10.488 1.725 686 HE2 PHE 87 HE1 PHE 87 27.618 9.731 3.479 687 HZ PHE 87 HZ PHE 87 25.239 9.151 3.218 688 H SER 88 H SER 88 28.405 15.305 2.511 689 HA SER 88 HA SER 88 27.179 14.475 4.917 690 HB2 SER 88 1HB SER 88 29.062 15.346 6.013 691 HB3 SER 88 2HB SER 88 29.682 14.930 4.416 692 HG SER 88 HG SER 88 29.508 17.355 5.625 693 H ARG 89 H ARG 89 27.274 17.547 3.210 694 HA ARG 89 HA ARG 89 26.203 19.157 5.259 695 HB2 ARG 89 1HB ARG 89 26.473 19.393 2.298 696 HB3 ARG 89 2HB ARG 89 25.392 20.507 3.125 697 HG2 ARG 89 1HG ARG 89 27.410 20.942 4.678 698 HG3 ARG 89 2HG ARG 89 28.355 20.217 3.376 699 HD2 ARG 89 1HD ARG 89 27.548 21.869 1.814 700 HD3 ARG 89 2HD ARG 89 26.466 22.541 3.033 701 HE ARG 89 HE ARG 89 29.267 23.063 2.736 702 HH11 ARG 89 2HH1 ARG 89 26.627 22.936 5.003 703 HH12 ARG 89 1HH1 ARG 89 27.353 24.054 6.110 704 HH21 ARG 89 2HH2 ARG 89 30.233 24.535 4.186 705 HH22 ARG 89 1HH2 ARG 89 29.404 24.963 5.644 706 H VAL 90 H VAL 90 24.626 17.578 2.482 707 HA VAL 90 HA VAL 90 21.998 18.342 3.257 708 HB VAL 90 HB VAL 90 22.507 17.799 0.936 709 HG11 VAL 90 1HG1 VAL 90 24.150 15.970 1.556 710 HG12 VAL 90 2HG1 VAL 90 22.750 14.912 1.741 711 HG13 VAL 90 3HG1 VAL 90 23.101 15.647 0.176 712 HG21 VAL 90 3HG2 VAL 90 20.654 15.597 1.545 713 HG22 VAL 90 1HG2 VAL 90 20.244 17.150 2.272 714 HG23 VAL 90 2HG2 VAL 90 20.434 17.018 0.524 715 H PHE 91 H PHE 91 23.936 15.420 3.700 716 HA PHE 91 HA PHE 91 21.891 13.846 4.852 717 HB2 PHE 91 1HB PHE 91 23.917 12.837 3.942 718 HB3 PHE 91 2HB PHE 91 24.895 13.658 5.154 719 HD1 PHE 91 HD2 PHE 91 24.809 12.959 7.500 720 HD2 PHE 91 HD1 PHE 91 22.677 10.867 4.468 721 HE1 PHE 91 HE2 PHE 91 24.532 11.045 9.020 722 HE2 PHE 91 HE1 PHE 91 22.396 8.949 5.984 723 HZ PHE 91 HZ PHE 91 23.325 9.036 8.263 724 H LYS 92 H LYS 92 24.227 16.104 6.189 725 HA LYS 92 HA LYS 92 23.972 15.502 8.898 726 HB2 LYS 92 1HB LYS 92 25.697 16.999 8.128 727 HB3 LYS 92 2HB LYS 92 24.503 18.140 7.523 728 HG2 LYS 92 1HG LYS 92 24.408 17.463 10.407 729 HG3 LYS 92 2HG LYS 92 25.742 18.472 9.841 730 HD2 LYS 92 1HD LYS 92 23.244 19.353 8.705 731 HD3 LYS 92 2HD LYS 92 23.140 19.288 10.466 732 HE2 LYS 92 1HE LYS 92 24.713 20.916 10.754 733 HE3 LYS 92 2HE LYS 92 25.572 20.500 9.272 734 HZ1 LYS 92 3HZ LYS 92 23.291 22.279 9.660 735 HZ2 LYS 92 1HZ LYS 92 23.338 21.390 8.222 736 HZ3 LYS 92 2HZ LYS 92 24.613 22.429 8.616 737 H LYS 93 H LYS 93 22.021 17.610 6.835 738 HA LYS 93 HA LYS 93 20.339 18.502 8.977 739 HB2 LYS 93 1HB LYS 93 19.934 18.641 5.983 740 HB3 LYS 93 2HB LYS 93 18.964 19.488 7.181 741 HG2 LYS 93 1HG LYS 93 20.651 20.976 7.692 742 HG3 LYS 93 2HG LYS 93 21.920 19.900 7.101 743 HD2 LYS 93 1HD LYS 93 21.730 21.651 5.514 744 HD3 LYS 93 2HD LYS 93 20.962 20.237 4.789 745 HE2 LYS 93 1HE LYS 93 19.605 22.204 4.403 746 HE3 LYS 93 2HE LYS 93 18.766 21.099 5.491 747 HZ1 LYS 93 3HZ LYS 93 20.359 23.414 6.439 748 HZ2 LYS 93 1HZ LYS 93 19.293 22.457 7.339 749 HZ3 LYS 93 2HZ LYS 93 18.695 23.493 6.143 750 H CYS 94 H CYS 94 20.370 15.810 6.802 751 HA CYS 94 HA CYS 94 17.685 15.090 6.755 752 HB2 CYS 94 1HB CYS 94 19.546 14.030 5.436 753 HB3 CYS 94 2HB CYS 94 20.011 13.165 6.896 754 HG CYS 94 HG CYS 94 16.822 12.856 5.778 755 H THR 95 H THR 95 20.205 14.122 9.072 756 HA THR 95 HA THR 95 18.083 13.166 10.874 757 HB THR 95 HB THR 95 19.714 11.784 11.968 758 HG1 THR 95 HG1 THR 95 21.884 11.899 11.492 759 HG21 THR 95 3HG2 THR 95 20.086 11.584 8.977 760 HG22 THR 95 1HG2 THR 95 18.750 10.889 9.895 761 HG23 THR 95 2HG2 THR 95 20.394 10.302 10.149 762 H GLY 96 H GLY 96 20.199 15.717 10.375 763 HA2 GLY 96 1HA GLY 96 20.198 17.654 11.738 764 HA3 GLY 96 2HA GLY 96 19.748 16.657 13.113 765 H ALA 97 H ALA 97 22.058 14.880 11.772 766 HA ALA 97 HA ALA 97 24.311 16.364 12.924 767 HB1 ALA 97 1HB ALA 97 24.194 13.461 13.515 768 HB2 ALA 97 2HB ALA 97 24.882 14.785 14.457 769 HB3 ALA 97 3HB ALA 97 23.138 14.525 14.444 770 H SER 98 H SER 98 26.330 15.864 12.059 771 HA SER 98 HA SER 98 26.349 15.021 9.367 772 HB2 SER 98 1HB SER 98 28.981 14.857 10.143 773 HB3 SER 98 2HB SER 98 28.175 16.330 9.601 774 HG SER 98 HG SER 98 27.922 16.969 11.672 775 HA PRO 99 HA PRO 99 26.982 10.684 9.502 776 HB2 PRO 99 1HB PRO 99 28.874 10.287 7.596 777 HB3 PRO 99 2HB PRO 99 27.205 10.731 7.216 778 HG2 PRO 99 1HG PRO 99 29.641 12.465 7.359 779 HG3 PRO 99 2HG PRO 99 28.337 12.464 6.157 780 HD2 PRO 99 1HD PRO 99 28.459 14.268 8.173 781 HD3 PRO 99 2HD PRO 99 26.921 13.682 7.507 782 H SER 100 H SER 100 29.899 12.654 9.696 783 HA SER 100 HA SER 100 31.638 10.597 10.569 784 HB2 SER 100 1HB SER 100 32.353 12.816 9.620 785 HB3 SER 100 2HB SER 100 31.894 13.554 11.155 786 HG SER 100 HG SER 100 33.890 11.589 10.710 787 H GLU 101 H GLU 101 29.462 12.788 12.233 788 HA GLU 101 HA GLU 101 30.429 12.184 14.857 789 HB2 GLU 101 1HB GLU 101 29.230 14.293 14.243 790 HB3 GLU 101 2HB GLU 101 27.755 13.352 14.072 791 HG2 GLU 101 1HG GLU 101 27.423 13.975 16.198 792 HG3 GLU 101 2HG GLU 101 28.491 12.617 16.551 793 H PHE 102 H PHE 102 27.592 11.185 12.965 794 HA PHE 102 HA PHE 102 26.430 9.528 14.895 795 HB2 PHE 102 1HB PHE 102 25.449 10.331 12.666 796 HB3 PHE 102 2HB PHE 102 26.308 8.979 11.935 797 HD1 PHE 102 HD1 PHE 102 25.672 6.676 12.455 798 HD2 PHE 102 HD2 PHE 102 23.493 9.992 13.995 799 HE1 PHE 102 HE1 PHE 102 23.801 5.180 13.018 800 HE2 PHE 102 HE2 PHE 102 21.619 8.502 14.561 801 HZ PHE 102 HZ PHE 102 21.771 6.093 14.073 802 H ARG 103 H ARG 103 28.788 8.797 12.352 803 HA ARG 103 HA ARG 103 28.931 6.028 12.772 804 HB2 ARG 103 1HB ARG 103 29.919 7.513 10.872 805 HB3 ARG 103 2HB ARG 103 31.320 7.634 11.928 806 HG2 ARG 103 1HG ARG 103 31.081 5.009 11.973 807 HG3 ARG 103 2HG ARG 103 30.260 5.297 10.438 808 HD2 ARG 103 1HD ARG 103 32.339 6.781 9.924 809 HD3 ARG 103 2HD ARG 103 33.098 5.838 11.206 810 HE ARG 103 HE ARG 103 32.484 4.959 8.554 811 HH11 ARG 103 2HH1 ARG 103 32.889 3.925 11.853 812 HH12 ARG 103 1HH1 ARG 103 33.307 2.298 11.429 813 HH21 ARG 103 2HH2 ARG 103 33.033 2.820 7.983 814 HH22 ARG 103 1HH2 ARG 103 33.390 1.671 9.227 815 H ALA 104 H ALA 104 30.554 8.718 14.344 816 HA ALA 104 HA ALA 104 32.518 7.277 15.735 817 HB1 ALA 104 1HB ALA 104 31.653 9.946 15.594 818 HB2 ALA 104 2HB ALA 104 31.596 9.493 17.298 819 HB3 ALA 104 3HB ALA 104 33.097 9.317 16.389 820 H GLY 105 H GLY 105 29.115 7.772 16.358 821 HA2 GLY 105 1HA GLY 105 27.769 6.437 17.726 822 HA3 GLY 105 2HA GLY 105 29.219 5.753 18.447 823 H CYS 106 H CYS 106 29.930 8.855 18.597 824 HA CYS 106 HA CYS 106 28.999 9.085 21.341 825 HB2 CYS 106 1HB CYS 106 31.053 10.502 19.679 826 HB3 CYS 106 2HB CYS 106 30.463 11.247 21.160 827 HG CYS 106 HG CYS 106 32.989 9.873 21.452 828 H GLU 107 H GLU 107 27.230 10.167 21.873 829 HA GLU 107 HA GLU 107 26.022 11.976 19.923 830 HB2 GLU 107 1HB GLU 107 24.767 10.087 21.152 831 HB3 GLU 107 2HB GLU 107 24.797 11.158 22.545 832 HG2 GLU 107 1HG GLU 107 23.415 12.724 21.534 833 HG3 GLU 107 2HG GLU 107 23.739 12.106 19.915 Start of MODEL 16 1 H1 MET 1 H MET 1 3.445 -2.522 0.322 2 HA MET 1 HA MET 1 2.731 -0.034 -1.087 3 HB2 MET 1 1HB MET 1 5.154 -0.274 -0.800 4 HB3 MET 1 2HB MET 1 5.097 -1.853 -1.573 5 HG2 MET 1 1HG MET 1 5.903 -0.148 -3.101 6 HG3 MET 1 2HG MET 1 4.375 -0.832 -3.653 7 HE1 MET 1 3HE MET 1 5.079 2.206 -0.935 8 HE2 MET 1 1HE MET 1 6.304 2.013 -2.190 9 HE3 MET 1 2HE MET 1 5.227 3.410 -2.216 10 H ASP 2 H ASP 2 1.917 -0.180 -3.172 11 HA ASP 2 HA ASP 2 0.534 -2.629 -3.774 12 HB2 ASP 2 1HB ASP 2 -0.280 -0.193 -4.141 13 HB3 ASP 2 2HB ASP 2 0.674 -0.262 -5.620 14 H ASN 3 H ASN 3 0.800 -3.949 -5.574 15 HA ASN 3 HA ASN 3 3.430 -4.445 -6.399 16 HB2 ASN 3 1HB ASN 3 1.362 -6.003 -6.423 17 HB3 ASN 3 2HB ASN 3 1.037 -5.305 -8.007 18 HD21 ASN 3 2HD2 ASN 3 2.933 -5.342 -9.526 19 HD22 ASN 3 1HD2 ASN 3 3.889 -6.781 -9.543 20 H ARG 4 H ARG 4 0.753 -2.822 -8.072 21 HA ARG 4 HA ARG 4 1.987 -2.377 -10.521 22 HB2 ARG 4 1HB ARG 4 -0.111 -0.848 -9.001 23 HB3 ARG 4 2HB ARG 4 0.458 -0.299 -10.572 24 HG2 ARG 4 1HG ARG 4 -0.107 -2.753 -11.292 25 HG3 ARG 4 2HG ARG 4 -1.150 -2.701 -9.869 26 HD2 ARG 4 1HD ARG 4 -1.921 -0.420 -10.907 27 HD3 ARG 4 2HD ARG 4 -1.296 -1.124 -12.398 28 HE ARG 4 HE ARG 4 -3.069 -2.584 -12.421 29 HH11 ARG 4 2HH1 ARG 4 -2.891 -1.014 -9.319 30 HH12 ARG 4 1HH1 ARG 4 -4.424 -1.616 -8.780 31 HH21 ARG 4 2HH2 ARG 4 -5.089 -3.383 -11.723 32 HH22 ARG 4 1HH2 ARG 4 -5.673 -2.964 -10.148 33 H VAL 5 H VAL 5 1.957 -0.298 -7.634 34 HA VAL 5 HA VAL 5 3.615 1.714 -8.760 35 HB VAL 5 HB VAL 5 3.166 1.100 -5.836 36 HG11 VAL 5 1HG1 VAL 5 4.414 2.879 -5.364 37 HG12 VAL 5 2HG1 VAL 5 4.915 2.898 -7.056 38 HG13 VAL 5 3HG1 VAL 5 3.542 3.874 -6.530 39 HG21 VAL 5 3HG2 VAL 5 1.361 2.705 -5.910 40 HG22 VAL 5 1HG2 VAL 5 1.658 3.007 -7.622 41 HG23 VAL 5 2HG2 VAL 5 1.062 1.433 -7.094 42 H ARG 6 H ARG 6 4.240 -1.152 -6.804 43 HA ARG 6 HA ARG 6 6.886 -0.703 -6.107 44 HB2 ARG 6 1HB ARG 6 5.267 -2.657 -5.510 45 HB3 ARG 6 2HB ARG 6 5.954 -3.433 -6.931 46 HG2 ARG 6 1HG ARG 6 7.840 -3.951 -5.867 47 HG3 ARG 6 2HG ARG 6 7.977 -2.346 -5.145 48 HD2 ARG 6 1HD ARG 6 6.691 -2.928 -3.302 49 HD3 ARG 6 2HD ARG 6 5.943 -4.292 -4.132 50 HE ARG 6 HE ARG 6 8.779 -4.576 -3.738 51 HH11 ARG 6 2HH1 ARG 6 5.623 -5.067 -2.353 52 HH12 ARG 6 1HH1 ARG 6 6.144 -6.329 -1.286 53 HH21 ARG 6 2HH2 ARG 6 9.478 -6.235 -2.337 54 HH22 ARG 6 1HH2 ARG 6 8.337 -6.992 -1.277 55 H GLU 7 H GLU 7 5.516 -1.804 -9.145 56 HA GLU 7 HA GLU 7 7.993 -2.572 -10.327 57 HB2 GLU 7 1HB GLU 7 5.256 -2.692 -11.020 58 HB3 GLU 7 2HB GLU 7 6.055 -1.784 -12.296 59 HG2 GLU 7 1HG GLU 7 6.635 -4.579 -11.370 60 HG3 GLU 7 2HG GLU 7 6.078 -4.047 -12.955 61 H ALA 8 H ALA 8 6.161 0.407 -10.149 62 HA ALA 8 HA ALA 8 7.665 1.797 -12.141 63 HB1 ALA 8 1HB ALA 8 6.464 3.580 -10.244 64 HB2 ALA 8 2HB ALA 8 6.028 3.280 -11.927 65 HB3 ALA 8 3HB ALA 8 5.340 2.282 -10.647 66 H CYS 9 H CYS 9 7.706 1.767 -8.587 67 HA CYS 9 HA CYS 9 9.766 3.663 -8.282 68 HB2 CYS 9 1HB CYS 9 9.808 3.051 -6.004 69 HB3 CYS 9 2HB CYS 9 8.144 2.785 -6.509 70 HG CYS 9 HG CYS 9 8.308 0.582 -5.114 71 H GLN 10 H GLN 10 9.792 0.225 -8.892 72 HA GLN 10 HA GLN 10 12.449 -0.335 -8.182 73 HB2 GLN 10 1HB GLN 10 10.893 -2.130 -8.578 74 HB3 GLN 10 2HB GLN 10 10.644 -1.611 -10.240 75 HG2 GLN 10 1HG GLN 10 12.078 -3.586 -10.082 76 HG3 GLN 10 2HG GLN 10 12.909 -2.212 -10.809 77 HE21 GLN 10 2HE2 GLN 10 12.352 -3.640 -7.608 78 HE22 GLN 10 1HE2 GLN 10 13.968 -3.417 -7.038 79 H TYR 11 H TYR 11 11.036 0.981 -11.117 80 HA TYR 11 HA TYR 11 13.311 0.754 -12.766 81 HB2 TYR 11 1HB TYR 11 11.327 1.176 -13.922 82 HB3 TYR 11 2HB TYR 11 10.847 2.466 -12.825 83 HD1 TYR 11 HD2 TYR 11 13.776 1.755 -15.048 84 HD2 TYR 11 HD1 TYR 11 10.837 4.557 -13.778 85 HE1 TYR 11 HE2 TYR 11 14.693 3.418 -16.612 86 HE2 TYR 11 HE1 TYR 11 11.746 6.227 -15.338 87 HH TYR 11 HH TYR 11 13.623 5.569 -17.846 88 H ILE 12 H ILE 12 12.271 3.196 -10.465 89 HA ILE 12 HA ILE 12 14.125 5.201 -11.174 90 HB ILE 12 HB ILE 12 12.890 4.689 -8.465 91 HG12 ILE 12 1HG1 ILE 12 11.948 6.529 -10.673 92 HG13 ILE 12 2HG1 ILE 12 11.255 4.944 -10.344 93 HG21 ILE 12 1HG2 ILE 12 14.803 6.611 -9.374 94 HG22 ILE 12 2HG2 ILE 12 13.307 7.431 -8.932 95 HG23 ILE 12 3HG2 ILE 12 14.122 6.395 -7.761 96 HD11 ILE 12 3HD1 ILE 12 10.077 5.689 -8.595 97 HD12 ILE 12 1HD1 ILE 12 11.381 6.732 -8.027 98 HD13 ILE 12 2HD1 ILE 12 10.327 7.271 -9.334 99 H SER 13 H SER 13 14.320 2.424 -9.028 100 HA SER 13 HA SER 13 16.671 3.072 -7.663 101 HB2 SER 13 1HB SER 13 16.699 0.860 -6.929 102 HB3 SER 13 2HB SER 13 15.000 1.087 -7.341 103 HG SER 13 HG SER 13 15.226 -0.464 -8.722 104 H ASP 14 H ASP 14 16.193 1.398 -10.748 105 HA ASP 14 HA ASP 14 18.870 0.723 -11.231 106 HB2 ASP 14 1HB ASP 14 16.675 0.047 -12.484 107 HB3 ASP 14 2HB ASP 14 17.021 1.463 -13.472 108 H HIS 15 H HIS 15 17.167 3.729 -11.532 109 HA HIS 15 HA HIS 15 19.484 4.944 -12.875 110 HB2 HIS 15 1HB HIS 15 16.597 5.784 -12.668 111 HB3 HIS 15 2HB HIS 15 17.856 6.895 -13.198 112 HD1 HIS 15 HD1 HIS 15 18.263 6.927 -15.637 113 HD2 HIS 15 HD2 HIS 15 16.528 3.359 -14.404 114 HE1 HIS 15 HE1 HIS 15 17.839 5.622 -17.744 115 H LEU 16 H LEU 16 18.969 4.269 -9.927 116 HA LEU 16 HA LEU 16 18.643 6.600 -8.436 117 HB2 LEU 16 1HB LEU 16 18.694 4.228 -7.598 118 HB3 LEU 16 2HB LEU 16 20.451 4.306 -7.705 119 HG LEU 16 HG LEU 16 20.458 6.116 -6.043 120 HD11 LEU 16 1HD1 LEU 16 18.306 7.108 -6.465 121 HD12 LEU 16 2HD1 LEU 16 18.381 6.578 -4.785 122 HD13 LEU 16 3HD1 LEU 16 17.485 5.628 -5.970 123 HD21 LEU 16 3HD2 LEU 16 18.850 3.839 -4.936 124 HD22 LEU 16 1HD2 LEU 16 20.158 4.745 -4.177 125 HD23 LEU 16 2HD2 LEU 16 20.512 3.616 -5.484 126 H ALA 17 H ALA 17 21.356 5.454 -10.259 127 HA ALA 17 HA ALA 17 23.175 7.377 -9.034 128 HB1 ALA 17 1HB ALA 17 24.075 5.838 -11.379 129 HB2 ALA 17 2HB ALA 17 24.872 6.126 -9.832 130 HB3 ALA 17 3HB ALA 17 23.625 4.887 -9.963 131 H ASP 18 H ASP 18 21.120 7.065 -11.767 132 HA ASP 18 HA ASP 18 22.424 8.769 -13.587 133 HB2 ASP 18 1HB ASP 18 20.327 7.208 -13.865 134 HB3 ASP 18 2HB ASP 18 19.436 8.665 -13.434 135 H SER 19 H SER 19 21.994 10.959 -14.130 136 HA SER 19 HA SER 19 21.391 12.590 -11.783 137 HB2 SER 19 1HB SER 19 22.263 14.455 -13.331 138 HB3 SER 19 2HB SER 19 23.426 13.253 -12.772 139 HG SER 19 HG SER 19 23.725 13.451 -14.949 140 H ASN 20 H ASN 20 20.461 12.336 -15.204 141 HA ASN 20 HA ASN 20 18.278 14.208 -14.821 142 HB2 ASN 20 1HB ASN 20 19.014 12.596 -17.274 143 HB3 ASN 20 2HB ASN 20 17.892 13.952 -17.213 144 HD21 ASN 20 2HD2 ASN 20 20.580 13.355 -18.546 145 HD22 ASN 20 1HD2 ASN 20 21.506 14.779 -18.233 146 H PHE 21 H PHE 21 16.668 13.353 -13.623 147 HA PHE 21 HA PHE 21 15.681 10.675 -14.306 148 HB2 PHE 21 1HB PHE 21 16.168 10.936 -11.960 149 HB3 PHE 21 2HB PHE 21 15.222 12.419 -11.881 150 HD1 PHE 21 HD1 PHE 21 14.412 9.137 -13.433 151 HD2 PHE 21 HD2 PHE 21 13.492 11.989 -10.410 152 HE1 PHE 21 HE1 PHE 21 12.424 7.829 -12.808 153 HE2 PHE 21 HE2 PHE 21 11.504 10.685 -9.780 154 HZ PHE 21 HZ PHE 21 10.968 8.601 -10.978 155 H ASP 22 H ASP 22 13.733 10.361 -15.206 156 HA ASP 22 HA ASP 22 12.019 12.728 -15.594 157 HB2 ASP 22 1HB ASP 22 13.209 11.505 -17.607 158 HB3 ASP 22 2HB ASP 22 11.876 10.368 -17.426 159 H ILE 23 H ILE 23 10.093 12.652 -14.660 160 HA ILE 23 HA ILE 23 9.196 10.365 -13.236 161 HB ILE 23 HB ILE 23 8.679 12.730 -12.602 162 HG12 ILE 23 1HG1 ILE 23 6.310 10.881 -12.965 163 HG13 ILE 23 2HG1 ILE 23 7.451 10.846 -11.625 164 HG21 ILE 23 1HG2 ILE 23 8.095 13.418 -14.948 165 HG22 ILE 23 2HG2 ILE 23 6.559 12.580 -14.732 166 HG23 ILE 23 3HG2 ILE 23 6.966 13.953 -13.704 167 HD11 ILE 23 3HD1 ILE 23 6.678 13.337 -11.334 168 HD12 ILE 23 1HD1 ILE 23 5.257 12.759 -12.202 169 HD13 ILE 23 2HD1 ILE 23 5.731 12.001 -10.681 170 H ALA 24 H ALA 24 8.577 11.622 -16.421 171 HA ALA 24 HA ALA 24 6.166 10.320 -17.002 172 HB1 ALA 24 1HB ALA 24 6.642 11.841 -18.620 173 HB2 ALA 24 2HB ALA 24 8.371 11.488 -18.601 174 HB3 ALA 24 3HB ALA 24 7.257 10.396 -19.424 175 H SER 25 H SER 25 9.518 9.230 -17.263 176 HA SER 25 HA SER 25 9.015 6.809 -18.603 177 HB2 SER 25 1HB SER 25 11.254 7.649 -16.754 178 HB3 SER 25 2HB SER 25 11.238 6.108 -17.611 179 HG SER 25 HG SER 25 12.376 7.821 -18.712 180 H VAL 26 H VAL 26 8.731 7.736 -15.259 181 HA VAL 26 HA VAL 26 8.655 5.108 -14.166 182 HB VAL 26 HB VAL 26 7.512 7.666 -13.034 183 HG11 VAL 26 1HG1 VAL 26 8.233 5.086 -11.648 184 HG12 VAL 26 2HG1 VAL 26 7.592 6.544 -10.886 185 HG13 VAL 26 3HG1 VAL 26 6.594 5.623 -12.013 186 HG21 VAL 26 3HG2 VAL 26 9.612 8.309 -12.697 187 HG22 VAL 26 1HG2 VAL 26 9.872 6.873 -11.706 188 HG23 VAL 26 2HG2 VAL 26 10.212 6.825 -13.436 189 H ALA 27 H ALA 27 6.131 7.448 -15.054 190 HA ALA 27 HA ALA 27 3.954 5.783 -14.333 191 HB1 ALA 27 1HB ALA 27 4.292 8.415 -15.237 192 HB2 ALA 27 2HB ALA 27 3.245 7.625 -16.417 193 HB3 ALA 27 3HB ALA 27 2.798 7.639 -14.711 194 H GLN 28 H GLN 28 5.445 6.527 -17.480 195 HA GLN 28 HA GLN 28 3.779 4.895 -19.034 196 HB2 GLN 28 1HB GLN 28 5.329 5.202 -20.790 197 HB3 GLN 28 2HB GLN 28 5.411 6.674 -19.832 198 HG2 GLN 28 1HG GLN 28 7.627 6.267 -20.162 199 HG3 GLN 28 2HG GLN 28 7.372 5.423 -18.636 200 HE21 GLN 28 2HE2 GLN 28 9.144 4.081 -19.033 201 HE22 GLN 28 1HE2 GLN 28 9.068 2.788 -20.175 202 H HIS 29 H HIS 29 6.697 4.189 -17.214 203 HA HIS 29 HA HIS 29 7.315 1.681 -18.259 204 HB2 HIS 29 1HB HIS 29 8.890 2.698 -16.802 205 HB3 HIS 29 2HB HIS 29 7.704 2.858 -15.510 206 HD1 HIS 29 HD1 HIS 29 8.436 -0.307 -17.451 207 HD2 HIS 29 HD2 HIS 29 8.879 1.259 -13.628 208 HE1 HIS 29 HE1 HIS 29 9.232 -2.222 -16.028 209 H VAL 30 H VAL 30 4.913 2.640 -15.889 210 HA VAL 30 HA VAL 30 4.133 -0.161 -15.501 211 HB VAL 30 HB VAL 30 2.661 0.729 -13.695 212 HG11 VAL 30 1HG1 VAL 30 5.583 1.443 -13.460 213 HG12 VAL 30 2HG1 VAL 30 4.472 1.180 -12.115 214 HG13 VAL 30 3HG1 VAL 30 4.882 -0.153 -13.195 215 HG21 VAL 30 3HG2 VAL 30 2.747 2.977 -12.997 216 HG22 VAL 30 1HG2 VAL 30 4.141 3.325 -14.020 217 HG23 VAL 30 2HG2 VAL 30 2.560 3.044 -14.750 218 H CYS 31 H CYS 31 3.584 1.615 -17.900 219 HA CYS 31 HA CYS 31 1.885 2.087 -19.343 220 HB2 CYS 31 1HB CYS 31 0.857 -0.372 -17.938 221 HB3 CYS 31 2HB CYS 31 -0.023 0.377 -19.264 222 HG CYS 31 HG CYS 31 3.229 -0.437 -19.767 223 H LEU 32 H LEU 32 1.862 3.688 -17.065 224 HA LEU 32 HA LEU 32 -0.993 4.305 -16.897 225 HB2 LEU 32 1HB LEU 32 0.576 3.261 -14.756 226 HB3 LEU 32 2HB LEU 32 0.143 4.928 -14.380 227 HG LEU 32 HG LEU 32 -1.773 2.681 -15.000 228 HD11 LEU 32 1HD1 LEU 32 -0.855 2.405 -12.815 229 HD12 LEU 32 2HD1 LEU 32 -2.476 3.077 -12.639 230 HD13 LEU 32 3HD1 LEU 32 -1.065 4.117 -12.450 231 HD21 LEU 32 3HD2 LEU 32 -3.510 4.323 -14.373 232 HD22 LEU 32 1HD2 LEU 32 -2.648 4.763 -15.847 233 HD23 LEU 32 2HD2 LEU 32 -2.271 5.579 -14.329 234 H SER 33 H SER 33 -1.379 6.517 -16.031 235 HA SER 33 HA SER 33 0.444 8.360 -17.286 236 HB2 SER 33 1HB SER 33 -2.284 8.492 -16.125 237 HB3 SER 33 2HB SER 33 -1.349 9.987 -16.106 238 HG SER 33 HG SER 33 -2.564 8.749 -18.182 239 HA PRO 34 HA PRO 34 2.757 9.714 -13.814 240 HB2 PRO 34 1HB PRO 34 2.968 12.381 -14.272 241 HB3 PRO 34 2HB PRO 34 3.834 11.171 -15.226 242 HG2 PRO 34 1HG PRO 34 1.299 12.629 -15.866 243 HG3 PRO 34 2HG PRO 34 2.681 12.273 -16.918 244 HD2 PRO 34 1HD PRO 34 0.395 10.823 -16.974 245 HD3 PRO 34 2HD PRO 34 1.987 10.111 -17.309 246 H SER 35 H SER 35 -0.114 11.682 -14.507 247 HA SER 35 HA SER 35 -0.280 12.880 -11.949 248 HB2 SER 35 1HB SER 35 -2.801 13.099 -12.740 249 HB3 SER 35 2HB SER 35 -1.525 14.055 -13.494 250 HG SER 35 HG SER 35 -2.859 13.027 -15.044 251 H ARG 36 H ARG 36 -1.909 10.068 -13.380 252 HA ARG 36 HA ARG 36 -3.415 9.446 -11.051 253 HB2 ARG 36 1HB ARG 36 -2.645 7.658 -13.364 254 HB3 ARG 36 2HB ARG 36 -3.898 7.323 -12.178 255 HG2 ARG 36 1HG ARG 36 -3.953 9.732 -13.971 256 HG3 ARG 36 2HG ARG 36 -4.681 8.185 -14.408 257 HD2 ARG 36 1HD ARG 36 -6.311 8.342 -12.781 258 HD3 ARG 36 2HD ARG 36 -5.359 9.446 -11.789 259 HE ARG 36 HE ARG 36 -6.086 10.615 -14.285 260 HH11 ARG 36 2HH1 ARG 36 -7.268 9.856 -11.099 261 HH12 ARG 36 1HH1 ARG 36 -8.448 11.124 -11.093 262 HH21 ARG 36 2HH2 ARG 36 -7.637 12.287 -14.289 263 HH22 ARG 36 1HH2 ARG 36 -8.658 12.506 -12.908 264 H LEU 37 H LEU 37 -0.318 8.339 -12.335 265 HA LEU 37 HA LEU 37 0.095 6.298 -10.409 266 HB2 LEU 37 1HB LEU 37 1.291 6.244 -12.485 267 HB3 LEU 37 2HB LEU 37 2.006 7.823 -12.168 268 HG LEU 37 HG LEU 37 3.021 6.558 -10.083 269 HD11 LEU 37 1HD1 LEU 37 3.613 4.228 -11.438 270 HD12 LEU 37 2HD1 LEU 37 1.882 4.436 -11.701 271 HD13 LEU 37 3HD1 LEU 37 2.525 4.389 -10.059 272 HD21 LEU 37 3HD2 LEU 37 4.524 5.721 -12.407 273 HD22 LEU 37 1HD2 LEU 37 4.920 6.926 -11.182 274 HD23 LEU 37 2HD2 LEU 37 3.936 7.376 -12.575 275 H SER 38 H SER 38 1.159 9.673 -10.632 276 HA SER 38 HA SER 38 2.783 9.717 -8.355 277 HB2 SER 38 1HB SER 38 2.825 11.534 -9.968 278 HB3 SER 38 2HB SER 38 1.147 11.939 -9.602 279 HG SER 38 HG SER 38 3.266 12.020 -7.715 280 H HIS 39 H HIS 39 -0.689 10.239 -8.731 281 HA HIS 39 HA HIS 39 -1.262 11.119 -6.140 282 HB2 HIS 39 1HB HIS 39 -2.875 11.229 -7.995 283 HB3 HIS 39 2HB HIS 39 -3.005 9.473 -7.987 284 HD1 HIS 39 HD1 HIS 39 -4.400 12.486 -6.466 285 HD2 HIS 39 HD2 HIS 39 -4.237 8.434 -5.564 286 HE1 HIS 39 HE1 HIS 39 -6.170 12.115 -4.719 287 H LEU 40 H LEU 40 -1.287 7.825 -7.480 288 HA LEU 40 HA LEU 40 -1.944 6.592 -4.995 289 HB2 LEU 40 1HB LEU 40 -1.154 5.688 -7.703 290 HB3 LEU 40 2HB LEU 40 -0.889 4.561 -6.374 291 HG LEU 40 HG LEU 40 -3.540 5.782 -7.143 292 HD11 LEU 40 1HD1 LEU 40 -3.564 2.982 -7.346 293 HD12 LEU 40 2HD1 LEU 40 -2.104 3.529 -8.169 294 HD13 LEU 40 3HD1 LEU 40 -3.677 4.164 -8.650 295 HD21 LEU 40 3HD2 LEU 40 -4.152 3.710 -5.562 296 HD22 LEU 40 1HD2 LEU 40 -3.934 5.352 -4.958 297 HD23 LEU 40 2HD2 LEU 40 -2.617 4.186 -4.834 298 H PHE 41 H PHE 41 1.029 7.453 -6.610 299 HA PHE 41 HA PHE 41 2.814 5.842 -5.166 300 HB2 PHE 41 1HB PHE 41 3.056 7.648 -7.204 301 HB3 PHE 41 2HB PHE 41 3.801 8.525 -5.871 302 HD1 PHE 41 HD2 PHE 41 5.805 7.651 -4.776 303 HD2 PHE 41 HD1 PHE 41 4.084 5.711 -8.150 304 HE1 PHE 41 HE2 PHE 41 7.885 6.377 -5.099 305 HE2 PHE 41 HE1 PHE 41 6.160 4.432 -8.479 306 HZ PHE 41 HZ PHE 41 8.065 4.765 -6.953 307 H ARG 42 H ARG 42 1.795 9.205 -4.592 308 HA ARG 42 HA ARG 42 3.248 9.485 -2.171 309 HB2 ARG 42 1HB ARG 42 2.533 11.412 -3.518 310 HB3 ARG 42 2HB ARG 42 0.851 11.034 -3.170 311 HG2 ARG 42 1HG ARG 42 0.950 11.875 -1.071 312 HG3 ARG 42 2HG ARG 42 2.639 11.417 -0.848 313 HD2 ARG 42 1HD ARG 42 2.737 13.733 -0.956 314 HD3 ARG 42 2HD ARG 42 3.129 13.243 -2.603 315 HE ARG 42 HE ARG 42 0.443 13.604 -2.671 316 HH11 ARG 42 2HH1 ARG 42 3.117 15.580 -1.637 317 HH12 ARG 42 1HH1 ARG 42 2.334 17.074 -2.032 318 HH21 ARG 42 2HH2 ARG 42 -0.597 15.565 -3.196 319 HH22 ARG 42 1HH2 ARG 42 0.222 17.064 -2.918 320 H GLN 43 H GLN 43 0.145 8.162 -2.962 321 HA GLN 43 HA GLN 43 -0.901 8.274 -0.288 322 HB2 GLN 43 1HB GLN 43 -2.166 8.128 -2.582 323 HB3 GLN 43 2HB GLN 43 -1.944 6.396 -2.373 324 HG2 GLN 43 1HG GLN 43 -3.253 8.187 -0.342 325 HG3 GLN 43 2HG GLN 43 -4.126 7.264 -1.564 326 HE21 GLN 43 2HE2 GLN 43 -3.344 4.868 -1.603 327 HE22 GLN 43 1HE2 GLN 43 -3.303 4.099 -0.057 328 H GLN 44 H GLN 44 0.688 5.861 -2.309 329 HA GLN 44 HA GLN 44 0.427 3.789 -0.317 330 HB2 GLN 44 1HB GLN 44 2.063 3.854 -2.859 331 HB3 GLN 44 2HB GLN 44 1.762 2.433 -1.868 332 HG2 GLN 44 1HG GLN 44 -0.571 3.944 -2.911 333 HG3 GLN 44 2HG GLN 44 0.351 2.940 -4.028 334 HE21 GLN 44 2HE2 GLN 44 -2.399 2.756 -2.806 335 HE22 GLN 44 1HE2 GLN 44 -2.478 1.151 -2.174 336 H LEU 45 H LEU 45 2.968 5.927 -1.521 337 HA LEU 45 HA LEU 45 4.904 4.816 0.341 338 HB2 LEU 45 1HB LEU 45 5.035 6.164 -2.129 339 HB3 LEU 45 2HB LEU 45 5.797 7.219 -0.940 340 HG LEU 45 HG LEU 45 6.614 4.353 -1.052 341 HD11 LEU 45 1HD1 LEU 45 6.566 5.287 -3.404 342 HD12 LEU 45 2HD1 LEU 45 8.122 4.687 -2.832 343 HD13 LEU 45 3HD1 LEU 45 7.809 6.422 -2.876 344 HD21 LEU 45 3HD2 LEU 45 8.566 5.109 -0.075 345 HD22 LEU 45 1HD2 LEU 45 7.363 6.193 0.623 346 HD23 LEU 45 2HD2 LEU 45 8.377 6.743 -0.711 347 H GLY 46 H GLY 46 2.563 7.271 0.291 348 HA2 GLY 46 1HA GLY 46 1.974 8.844 1.859 349 HA3 GLY 46 2HA GLY 46 3.127 8.082 2.944 350 H ILE 47 H ILE 47 4.597 8.981 0.059 351 HA ILE 47 HA ILE 47 5.215 11.695 0.898 352 HB ILE 47 HB ILE 47 7.606 11.391 0.936 353 HG12 ILE 47 1HG1 ILE 47 7.038 8.458 0.454 354 HG13 ILE 47 2HG1 ILE 47 7.764 9.570 -0.702 355 HG21 ILE 47 1HG2 ILE 47 6.415 11.085 3.038 356 HG22 ILE 47 2HG2 ILE 47 6.235 9.365 2.698 357 HG23 ILE 47 3HG2 ILE 47 7.839 10.047 2.969 358 HD11 ILE 47 3HD1 ILE 47 9.438 8.159 0.341 359 HD12 ILE 47 1HD1 ILE 47 9.683 9.851 0.774 360 HD13 ILE 47 2HD1 ILE 47 8.953 8.740 1.934 361 H SER 48 H SER 48 6.849 12.683 -0.708 362 HA SER 48 HA SER 48 5.778 12.283 -3.340 363 HB2 SER 48 1HB SER 48 7.815 14.161 -2.165 364 HB3 SER 48 2HB SER 48 7.556 14.075 -3.907 365 HG SER 48 HG SER 48 5.920 15.336 -3.582 366 H VAL 49 H VAL 49 6.848 11.575 -5.180 367 HA VAL 49 HA VAL 49 8.552 9.405 -4.952 368 HB VAL 49 HB VAL 49 8.309 11.244 -7.338 369 HG11 VAL 49 1HG1 VAL 49 9.167 8.356 -7.170 370 HG12 VAL 49 2HG1 VAL 49 8.999 9.308 -8.646 371 HG13 VAL 49 3HG1 VAL 49 10.232 9.731 -7.459 372 HG21 VAL 49 3HG2 VAL 49 6.836 8.776 -7.515 373 HG22 VAL 49 1HG2 VAL 49 6.335 9.700 -6.098 374 HG23 VAL 49 2HG2 VAL 49 6.268 10.435 -7.700 375 H LEU 50 H LEU 50 9.352 12.793 -5.628 376 HA LEU 50 HA LEU 50 12.107 12.432 -6.033 377 HB2 LEU 50 1HB LEU 50 10.305 14.692 -5.458 378 HB3 LEU 50 2HB LEU 50 11.996 14.932 -5.020 379 HG LEU 50 HG LEU 50 12.673 14.539 -7.319 380 HD11 LEU 50 1HD1 LEU 50 10.596 14.565 -8.965 381 HD12 LEU 50 2HD1 LEU 50 9.831 13.743 -7.606 382 HD13 LEU 50 3HD1 LEU 50 11.281 13.064 -8.344 383 HD21 LEU 50 3HD2 LEU 50 11.614 16.512 -8.357 384 HD22 LEU 50 1HD2 LEU 50 12.137 16.813 -6.700 385 HD23 LEU 50 2HD2 LEU 50 10.430 16.539 -7.049 386 H SER 51 H SER 51 10.191 12.785 -3.125 387 HA SER 51 HA SER 51 12.397 13.228 -1.368 388 HB2 SER 51 1HB SER 51 9.486 12.695 -1.067 389 HB3 SER 51 2HB SER 51 10.517 12.325 0.315 390 HG SER 51 HG SER 51 10.855 14.786 -0.967 391 H TRP 52 H TRP 52 10.460 10.389 -2.238 392 HA TRP 52 HA TRP 52 11.639 8.556 -0.493 393 HB2 TRP 52 1HB TRP 52 9.619 7.970 -1.655 394 HB3 TRP 52 2HB TRP 52 10.401 8.162 -3.221 395 HD1 TRP 52 HD1 TRP 52 10.668 5.862 -0.108 396 HE1 TRP 52 HE1 TRP 52 11.397 3.527 -0.910 397 HE3 TRP 52 HE3 TRP 52 11.315 6.877 -5.077 398 HZ2 TRP 52 HZ2 TRP 52 12.148 2.281 -3.329 399 HZ3 TRP 52 HZ3 TRP 52 12.041 5.058 -6.567 400 HH2 TRP 52 HH2 TRP 52 12.449 2.809 -5.709 401 H ARG 53 H ARG 53 12.595 9.586 -3.736 402 HA ARG 53 HA ARG 53 14.639 7.719 -4.160 403 HB2 ARG 53 1HB ARG 53 13.717 9.175 -5.925 404 HB3 ARG 53 2HB ARG 53 14.470 10.568 -5.159 405 HG2 ARG 53 1HG ARG 53 16.664 9.192 -5.457 406 HG3 ARG 53 2HG ARG 53 15.724 8.334 -6.680 407 HD2 ARG 53 1HD ARG 53 15.358 10.330 -7.917 408 HD3 ARG 53 2HD ARG 53 15.986 11.331 -6.608 409 HE ARG 53 HE ARG 53 18.122 10.880 -7.322 410 HH11 ARG 53 2HH1 ARG 53 15.886 8.726 -8.897 411 HH12 ARG 53 1HH1 ARG 53 17.061 8.111 -10.012 412 HH21 ARG 53 2HH2 ARG 53 19.678 10.079 -8.785 413 HH22 ARG 53 1HH2 ARG 53 19.218 8.881 -9.947 414 H GLU 54 H GLU 54 14.754 10.977 -2.745 415 HA GLU 54 HA GLU 54 17.540 10.986 -2.270 416 HB2 GLU 54 1HB GLU 54 15.703 12.905 -2.203 417 HB3 GLU 54 2HB GLU 54 15.708 12.520 -0.488 418 HG2 GLU 54 1HG GLU 54 18.032 13.038 -0.307 419 HG3 GLU 54 2HG GLU 54 18.178 13.216 -2.054 420 H ASP 55 H ASP 55 14.775 10.213 -0.181 421 HA ASP 55 HA ASP 55 16.155 9.739 2.185 422 HB2 ASP 55 1HB ASP 55 13.578 9.734 1.603 423 HB3 ASP 55 2HB ASP 55 13.834 7.996 1.469 424 H GLN 56 H GLN 56 15.606 7.630 -0.582 425 HA GLN 56 HA GLN 56 16.576 5.252 0.597 426 HB2 GLN 56 1HB GLN 56 16.190 6.175 -2.232 427 HB3 GLN 56 2HB GLN 56 16.990 4.645 -1.898 428 HG2 GLN 56 1HG GLN 56 14.337 5.238 -0.668 429 HG3 GLN 56 2HG GLN 56 14.437 4.709 -2.347 430 HE21 GLN 56 2HE2 GLN 56 16.145 2.801 -2.515 431 HE22 GLN 56 1HE2 GLN 56 15.833 1.498 -1.425 432 H ARG 57 H ARG 57 18.141 7.854 -1.196 433 HA ARG 57 HA ARG 57 20.639 6.675 -1.591 434 HB2 ARG 57 1HB ARG 57 19.941 9.580 -1.128 435 HB3 ARG 57 2HB ARG 57 21.498 9.009 -1.713 436 HG2 ARG 57 1HG ARG 57 20.641 8.379 -3.770 437 HG3 ARG 57 2HG ARG 57 18.986 8.293 -3.164 438 HD2 ARG 57 1HD ARG 57 18.710 10.315 -4.071 439 HD3 ARG 57 2HD ARG 57 19.672 10.919 -2.723 440 HE ARG 57 HE ARG 57 21.364 10.063 -4.816 441 HH11 ARG 57 2HH1 ARG 57 19.164 12.623 -3.960 442 HH12 ARG 57 1HH1 ARG 57 19.951 13.807 -4.950 443 HH21 ARG 57 2HH2 ARG 57 22.408 11.613 -6.123 444 HH22 ARG 57 1HH2 ARG 57 21.796 13.231 -6.181 445 H ILE 58 H ILE 58 19.457 8.634 1.126 446 HA ILE 58 HA ILE 58 21.901 8.457 2.592 447 HB ILE 58 HB ILE 58 19.151 9.137 3.639 448 HG12 ILE 58 1HG1 ILE 58 19.724 10.611 1.789 449 HG13 ILE 58 2HG1 ILE 58 19.841 11.493 3.308 450 HG21 ILE 58 1HG2 ILE 58 21.710 8.865 4.894 451 HG22 ILE 58 2HG2 ILE 58 21.175 10.542 4.990 452 HG23 ILE 58 3HG2 ILE 58 20.149 9.252 5.618 453 HD11 ILE 58 3HD1 ILE 58 21.858 12.133 2.671 454 HD12 ILE 58 1HD1 ILE 58 22.388 10.464 2.879 455 HD13 ILE 58 2HD1 ILE 58 21.840 11.026 1.298 456 H SER 59 H SER 59 18.830 6.715 2.652 457 HA SER 59 HA SER 59 19.267 5.211 4.975 458 HB2 SER 59 1HB SER 59 17.089 5.414 3.742 459 HB3 SER 59 2HB SER 59 17.732 4.310 2.527 460 HG SER 59 HG SER 59 16.440 3.351 4.272 461 H GLN 60 H GLN 60 20.155 4.603 1.609 462 HA GLN 60 HA GLN 60 21.196 1.994 2.080 463 HB2 GLN 60 1HB GLN 60 20.428 3.028 -0.146 464 HB3 GLN 60 2HB GLN 60 22.013 3.787 -0.194 465 HG2 GLN 60 1HG GLN 60 21.622 0.822 0.082 466 HG3 GLN 60 2HG GLN 60 21.779 1.639 -1.472 467 HE21 GLN 60 2HE2 GLN 60 23.439 -0.188 0.518 468 HE22 GLN 60 1HE2 GLN 60 25.032 0.452 0.327 469 H ALA 61 H ALA 61 22.588 5.229 1.987 470 HA ALA 61 HA ALA 61 25.301 4.433 2.115 471 HB1 ALA 61 1HB ALA 61 24.155 6.760 1.596 472 HB2 ALA 61 2HB ALA 61 24.460 7.016 3.314 473 HB3 ALA 61 3HB ALA 61 25.799 6.655 2.226 474 H LYS 62 H LYS 62 22.860 5.084 4.564 475 HA LYS 62 HA LYS 62 24.647 5.022 6.782 476 HB2 LYS 62 1HB LYS 62 21.653 4.632 6.632 477 HB3 LYS 62 2HB LYS 62 22.561 4.783 8.130 478 HG2 LYS 62 1HG LYS 62 22.984 7.021 7.809 479 HG3 LYS 62 2HG LYS 62 22.781 6.917 6.059 480 HD2 LYS 62 1HD LYS 62 20.538 7.180 6.173 481 HD3 LYS 62 2HD LYS 62 20.400 6.257 7.671 482 HE2 LYS 62 1HE LYS 62 21.427 9.084 7.439 483 HE3 LYS 62 2HE LYS 62 19.812 8.624 7.977 484 HZ1 LYS 62 3HZ LYS 62 21.816 7.246 9.449 485 HZ2 LYS 62 1HZ LYS 62 20.570 8.244 10.011 486 HZ3 LYS 62 2HZ LYS 62 22.049 8.919 9.546 487 H LEU 63 H LEU 63 22.795 2.612 5.043 488 HA LEU 63 HA LEU 63 23.051 0.525 6.942 489 HB2 LEU 63 1HB LEU 63 21.515 0.774 4.842 490 HB3 LEU 63 2HB LEU 63 22.861 -0.001 4.009 491 HG LEU 63 HG LEU 63 21.562 -1.236 6.422 492 HD11 LEU 63 1HD1 LEU 63 20.829 -2.242 3.755 493 HD12 LEU 63 2HD1 LEU 63 20.118 -0.695 4.213 494 HD13 LEU 63 3HD1 LEU 63 19.868 -2.115 5.228 495 HD21 LEU 63 3HD2 LEU 63 23.328 -2.579 6.131 496 HD22 LEU 63 1HD2 LEU 63 23.654 -1.956 4.513 497 HD23 LEU 63 2HD2 LEU 63 22.437 -3.211 4.746 498 H LEU 64 H LEU 64 24.864 1.277 3.973 499 HA LEU 64 HA LEU 64 26.734 -0.835 4.299 500 HB2 LEU 64 1HB LEU 64 27.858 0.055 2.448 501 HB3 LEU 64 2HB LEU 64 26.153 0.401 2.166 502 HG LEU 64 HG LEU 64 26.841 2.715 3.288 503 HD11 LEU 64 1HD1 LEU 64 29.053 2.694 3.706 504 HD12 LEU 64 2HD1 LEU 64 29.170 3.097 1.994 505 HD13 LEU 64 3HD1 LEU 64 29.377 1.427 2.522 506 HD21 LEU 64 3HD2 LEU 64 26.873 3.644 1.128 507 HD22 LEU 64 1HD2 LEU 64 25.885 2.189 0.992 508 HD23 LEU 64 2HD2 LEU 64 27.553 2.179 0.417 509 H LEU 65 H LEU 65 26.696 2.561 5.231 510 HA LEU 65 HA LEU 65 29.391 2.745 6.043 511 HB2 LEU 65 1HB LEU 65 26.905 4.292 6.633 512 HB3 LEU 65 2HB LEU 65 28.372 4.616 7.554 513 HG LEU 65 HG LEU 65 28.156 4.811 4.551 514 HD11 LEU 65 1HD1 LEU 65 28.162 7.006 6.617 515 HD12 LEU 65 2HD1 LEU 65 26.763 6.487 5.677 516 HD13 LEU 65 3HD1 LEU 65 28.150 7.215 4.866 517 HD21 LEU 65 3HD2 LEU 65 30.284 6.239 5.083 518 HD22 LEU 65 1HD2 LEU 65 30.396 4.485 4.938 519 HD23 LEU 65 2HD2 LEU 65 30.343 5.235 6.533 520 H SER 66 H SER 66 26.539 1.483 7.584 521 HA SER 66 HA SER 66 27.541 1.482 10.246 522 HB2 SER 66 1HB SER 66 25.220 0.275 8.829 523 HB3 SER 66 2HB SER 66 25.701 -0.462 10.357 524 HG SER 66 HG SER 66 25.538 1.645 11.295 525 H THR 67 H THR 67 28.218 -0.413 7.513 526 HA THR 67 HA THR 67 29.526 -2.442 9.206 527 HB THR 67 HB THR 67 27.695 -3.491 8.009 528 HG1 THR 67 HG1 THR 67 29.145 -5.037 7.938 529 HG21 THR 67 3HG2 THR 67 27.514 -3.489 5.613 530 HG22 THR 67 1HG2 THR 67 29.019 -2.586 5.452 531 HG23 THR 67 2HG2 THR 67 27.599 -1.815 6.158 532 H THR 68 H THR 68 30.109 0.148 7.335 533 HA THR 68 HA THR 68 32.745 -0.875 6.530 534 HB THR 68 HB THR 68 32.694 0.339 4.453 535 HG1 THR 68 HG1 THR 68 31.461 2.113 4.823 536 HG21 THR 68 3HG2 THR 68 31.665 -1.369 3.461 537 HG22 THR 68 1HG2 THR 68 30.089 -0.767 3.973 538 HG23 THR 68 2HG2 THR 68 31.009 -1.839 5.029 539 H ARG 69 H ARG 69 34.356 0.850 6.207 540 HA ARG 69 HA ARG 69 33.783 3.209 7.879 541 HB2 ARG 69 1HB ARG 69 36.199 3.122 8.548 542 HB3 ARG 69 2HB ARG 69 35.227 1.783 9.144 543 HG2 ARG 69 1HG ARG 69 36.688 1.436 6.579 544 HG3 ARG 69 2HG ARG 69 37.603 1.398 8.088 545 HD2 ARG 69 1HD ARG 69 35.684 -0.248 8.819 546 HD3 ARG 69 2HD ARG 69 35.513 -0.470 7.079 547 HE ARG 69 HE ARG 69 38.224 -0.723 7.917 548 HH11 ARG 69 2HH1 ARG 69 35.177 -2.401 7.766 549 HH12 ARG 69 1HH1 ARG 69 35.897 -3.976 7.739 550 HH21 ARG 69 2HH2 ARG 69 39.184 -2.791 7.882 551 HH22 ARG 69 1HH2 ARG 69 38.177 -4.197 7.807 552 H MET 70 H MET 70 33.860 2.612 4.873 553 HA MET 70 HA MET 70 36.053 3.972 3.746 554 HB2 MET 70 1HB MET 70 33.283 3.354 2.743 555 HB3 MET 70 2HB MET 70 34.435 4.257 1.767 556 HG2 MET 70 1HG MET 70 35.944 2.420 1.706 557 HG3 MET 70 2HG MET 70 35.003 1.535 2.904 558 HE1 MET 70 3HE MET 70 32.763 0.058 2.239 559 HE2 MET 70 1HE MET 70 32.204 1.731 2.295 560 HE3 MET 70 2HE MET 70 31.745 0.693 0.945 561 HA PRO 71 HA PRO 71 35.185 8.232 4.340 562 HB2 PRO 71 1HB PRO 71 36.039 9.302 1.996 563 HB3 PRO 71 2HB PRO 71 37.144 8.675 3.224 564 HG2 PRO 71 1HG PRO 71 36.163 7.370 0.715 565 HG3 PRO 71 2HG PRO 71 37.800 7.394 1.397 566 HD2 PRO 71 1HD PRO 71 36.139 5.273 1.669 567 HD3 PRO 71 2HD PRO 71 37.331 5.718 2.908 568 H ILE 72 H ILE 72 33.781 9.938 3.785 569 HA ILE 72 HA ILE 72 31.272 9.270 2.852 570 HB ILE 72 HB ILE 72 32.550 12.007 2.778 571 HG12 ILE 72 1HG1 ILE 72 30.719 10.907 4.904 572 HG13 ILE 72 2HG1 ILE 72 32.465 10.713 4.998 573 HG21 ILE 72 1HG2 ILE 72 29.642 11.209 2.757 574 HG22 ILE 72 2HG2 ILE 72 30.258 12.858 2.849 575 HG23 ILE 72 3HG2 ILE 72 30.542 11.890 1.402 576 HD11 ILE 72 3HD1 ILE 72 31.028 13.350 4.821 577 HD12 ILE 72 1HD1 ILE 72 31.643 12.619 6.303 578 HD13 ILE 72 2HD1 ILE 72 32.762 13.106 5.030 579 H ALA 73 H ALA 73 34.081 10.313 1.058 580 HA ALA 73 HA ALA 73 32.764 10.962 -1.365 581 HB1 ALA 73 1HB ALA 73 34.981 11.782 -0.971 582 HB2 ALA 73 2HB ALA 73 35.612 10.142 -0.817 583 HB3 ALA 73 3HB ALA 73 35.025 10.718 -2.377 584 H THR 74 H THR 74 34.393 8.010 -0.241 585 HA THR 74 HA THR 74 33.946 6.516 -2.599 586 HB THR 74 HB THR 74 34.420 5.550 0.227 587 HG1 THR 74 HG1 THR 74 36.569 5.153 -0.889 588 HG21 THR 74 3HG2 THR 74 34.530 4.077 -2.406 589 HG22 THR 74 1HG2 THR 74 33.425 3.771 -1.067 590 HG23 THR 74 2HG2 THR 74 35.148 3.446 -0.880 591 H VAL 75 H VAL 75 32.123 6.852 0.410 592 HA VAL 75 HA VAL 75 30.193 4.859 -0.169 593 HB VAL 75 HB VAL 75 30.002 7.260 1.654 594 HG11 VAL 75 1HG1 VAL 75 28.310 5.316 2.626 595 HG12 VAL 75 2HG1 VAL 75 27.826 6.768 1.749 596 HG13 VAL 75 3HG1 VAL 75 28.048 5.247 0.884 597 HG21 VAL 75 3HG2 VAL 75 30.179 4.709 2.961 598 HG22 VAL 75 1HG2 VAL 75 31.535 4.922 1.854 599 HG23 VAL 75 2HG2 VAL 75 31.229 6.117 3.114 600 H GLY 76 H GLY 76 30.254 8.374 -0.651 601 HA2 GLY 76 1HA GLY 76 27.641 8.733 -1.545 602 HA3 GLY 76 2HA GLY 76 29.007 9.733 -2.016 603 H ARG 77 H ARG 77 30.537 7.868 -3.402 604 HA ARG 77 HA ARG 77 29.417 7.981 -5.952 605 HB2 ARG 77 1HB ARG 77 31.682 6.401 -4.772 606 HB3 ARG 77 2HB ARG 77 31.201 6.160 -6.446 607 HG2 ARG 77 1HG ARG 77 31.887 8.263 -7.089 608 HG3 ARG 77 2HG ARG 77 31.760 8.917 -5.454 609 HD2 ARG 77 1HD ARG 77 33.652 7.118 -4.993 610 HD3 ARG 77 2HD ARG 77 33.945 7.349 -6.717 611 HE ARG 77 HE ARG 77 34.514 9.202 -4.601 612 HH11 ARG 77 2HH1 ARG 77 33.810 8.876 -7.994 613 HH12 ARG 77 1HH1 ARG 77 34.580 10.365 -8.431 614 HH21 ARG 77 2HH2 ARG 77 35.532 11.165 -5.163 615 HH22 ARG 77 1HH2 ARG 77 35.560 11.666 -6.820 616 H ASN 78 H ASN 78 29.301 5.462 -3.510 617 HA ASN 78 HA ASN 78 28.233 3.432 -5.182 618 HB2 ASN 78 1HB ASN 78 27.810 3.630 -2.202 619 HB3 ASN 78 2HB ASN 78 27.895 2.177 -3.194 620 HD21 ASN 78 2HD2 ASN 78 29.413 2.711 -0.856 621 HD22 ASN 78 1HD2 ASN 78 31.079 2.747 -1.314 622 H VAL 79 H VAL 79 26.895 6.250 -3.850 623 HA VAL 79 HA VAL 79 24.157 5.208 -4.138 624 HB VAL 79 HB VAL 79 24.352 7.889 -3.029 625 HG11 VAL 79 1HG1 VAL 79 22.450 6.131 -3.022 626 HG12 VAL 79 2HG1 VAL 79 23.297 5.466 -1.624 627 HG13 VAL 79 3HG1 VAL 79 22.703 7.127 -1.589 628 HG21 VAL 79 3HG2 VAL 79 25.817 5.650 -1.647 629 HG22 VAL 79 1HG2 VAL 79 26.442 7.234 -2.106 630 HG23 VAL 79 2HG2 VAL 79 25.247 7.097 -0.816 631 H GLY 80 H GLY 80 26.435 6.825 -5.862 632 HA2 GLY 80 1HA GLY 80 26.059 7.691 -8.027 633 HA3 GLY 80 2HA GLY 80 24.391 8.018 -7.581 634 H PHE 81 H PHE 81 27.038 8.957 -5.518 635 HA PHE 81 HA PHE 81 26.400 11.769 -6.091 636 HB2 PHE 81 1HB PHE 81 27.485 10.389 -3.642 637 HB3 PHE 81 2HB PHE 81 27.589 12.135 -3.844 638 HD1 PHE 81 HD1 PHE 81 25.015 9.453 -4.204 639 HD2 PHE 81 HD2 PHE 81 25.957 13.366 -2.821 640 HE1 PHE 81 HE1 PHE 81 22.732 9.686 -3.319 641 HE2 PHE 81 HE2 PHE 81 23.676 13.605 -1.933 642 HZ PHE 81 HZ PHE 81 22.059 11.764 -2.181 643 H ASP 82 H ASP 82 27.803 12.824 -7.311 644 HA ASP 82 HA ASP 82 30.453 11.803 -7.782 645 HB2 ASP 82 1HB ASP 82 28.847 14.106 -8.837 646 HB3 ASP 82 2HB ASP 82 30.584 14.042 -9.127 647 H ASP 83 H ASP 83 28.995 14.358 -5.900 648 HA ASP 83 HA ASP 83 31.672 15.217 -5.023 649 HB2 ASP 83 1HB ASP 83 29.117 16.773 -4.638 650 HB3 ASP 83 2HB ASP 83 30.774 17.355 -4.503 651 H GLN 84 H GLN 84 32.272 14.501 -3.098 652 HA GLN 84 HA GLN 84 30.570 13.123 -1.332 653 HB2 GLN 84 1HB GLN 84 32.436 12.938 0.111 654 HB3 GLN 84 2HB GLN 84 33.092 12.922 -1.520 655 HG2 GLN 84 1HG GLN 84 33.456 15.430 -1.203 656 HG3 GLN 84 2HG GLN 84 33.180 15.121 0.510 657 HE21 GLN 84 2HE2 GLN 84 34.762 14.218 1.711 658 HE22 GLN 84 1HE2 GLN 84 36.324 13.796 1.103 659 H LEU 85 H LEU 85 31.540 16.477 -1.529 660 HA LEU 85 HA LEU 85 30.698 17.272 1.049 661 HB2 LEU 85 1HB LEU 85 31.217 18.701 -1.525 662 HB3 LEU 85 2HB LEU 85 30.492 19.561 -0.169 663 HG LEU 85 HG LEU 85 32.876 19.963 -0.244 664 HD11 LEU 85 1HD1 LEU 85 31.451 18.994 1.970 665 HD12 LEU 85 2HD1 LEU 85 32.888 20.016 1.971 666 HD13 LEU 85 3HD1 LEU 85 33.053 18.263 2.054 667 HD21 LEU 85 3HD2 LEU 85 34.483 18.377 -0.464 668 HD22 LEU 85 1HD2 LEU 85 33.172 17.522 -1.276 669 HD23 LEU 85 2HD2 LEU 85 33.555 17.155 0.407 670 H TYR 86 H TYR 86 29.047 17.046 -2.055 671 HA TYR 86 HA TYR 86 26.694 18.399 -1.395 672 HB2 TYR 86 1HB TYR 86 27.002 17.897 -3.674 673 HB3 TYR 86 2HB TYR 86 27.305 16.194 -3.349 674 HD1 TYR 86 HD1 TYR 86 24.518 18.363 -2.162 675 HD2 TYR 86 HD2 TYR 86 25.682 15.054 -4.571 676 HE1 TYR 86 HE1 TYR 86 22.152 17.863 -2.606 677 HE2 TYR 86 HE2 TYR 86 23.318 14.546 -5.023 678 HH TYR 86 HH TYR 86 20.898 16.571 -4.660 679 H PHE 87 H PHE 87 27.469 14.938 -1.143 680 HA PHE 87 HA PHE 87 25.042 14.013 -0.191 681 HB2 PHE 87 1HB PHE 87 26.742 12.442 -0.803 682 HB3 PHE 87 2HB PHE 87 27.853 13.084 0.403 683 HD1 PHE 87 HD2 PHE 87 24.660 11.257 -0.018 684 HD2 PHE 87 HD1 PHE 87 27.886 12.235 2.582 685 HE1 PHE 87 HE2 PHE 87 23.856 9.589 1.602 686 HE2 PHE 87 HE1 PHE 87 27.087 10.567 4.205 687 HZ PHE 87 HZ PHE 87 25.069 9.243 3.717 688 H SER 88 H SER 88 27.638 15.639 1.519 689 HA SER 88 HA SER 88 26.719 15.137 4.145 690 HB2 SER 88 1HB SER 88 28.443 16.486 4.836 691 HB3 SER 88 2HB SER 88 28.994 16.159 3.193 692 HG SER 88 HG SER 88 28.280 18.506 4.319 693 H ARG 89 H ARG 89 26.032 17.673 1.801 694 HA ARG 89 HA ARG 89 24.637 19.417 3.509 695 HB2 ARG 89 1HB ARG 89 24.016 19.042 0.585 696 HB3 ARG 89 2HB ARG 89 23.866 20.505 1.549 697 HG2 ARG 89 1HG ARG 89 26.396 19.173 0.619 698 HG3 ARG 89 2HG ARG 89 25.764 20.750 0.141 699 HD2 ARG 89 1HD ARG 89 26.048 21.540 2.455 700 HD3 ARG 89 2HD ARG 89 26.727 19.973 2.892 701 HE ARG 89 HE ARG 89 28.261 20.863 0.801 702 HH11 ARG 89 2HH1 ARG 89 27.405 22.054 3.959 703 HH12 ARG 89 1HH1 ARG 89 28.888 22.921 4.178 704 HH21 ARG 89 2HH2 ARG 89 30.219 22.001 1.078 705 HH22 ARG 89 1HH2 ARG 89 30.488 22.891 2.538 706 H VAL 90 H VAL 90 23.432 16.884 1.314 707 HA VAL 90 HA VAL 90 20.715 17.176 2.106 708 HB VAL 90 HB VAL 90 22.104 14.878 0.723 709 HG11 VAL 90 1HG1 VAL 90 19.736 14.336 -0.014 710 HG12 VAL 90 2HG1 VAL 90 20.144 13.966 1.663 711 HG13 VAL 90 3HG1 VAL 90 19.198 15.405 1.280 712 HG21 VAL 90 3HG2 VAL 90 20.434 17.143 -0.366 713 HG22 VAL 90 1HG2 VAL 90 22.180 16.962 -0.537 714 HG23 VAL 90 2HG2 VAL 90 21.094 15.806 -1.308 715 H PHE 91 H PHE 91 23.269 14.863 2.961 716 HA PHE 91 HA PHE 91 21.722 13.235 4.642 717 HB2 PHE 91 1HB PHE 91 23.956 12.609 3.783 718 HB3 PHE 91 2HB PHE 91 24.684 13.822 4.831 719 HD1 PHE 91 HD2 PHE 91 24.491 13.554 7.316 720 HD2 PHE 91 HD1 PHE 91 23.420 10.471 4.584 721 HE1 PHE 91 HE2 PHE 91 24.635 11.900 9.132 722 HE2 PHE 91 HE1 PHE 91 23.562 8.812 6.396 723 HZ PHE 91 HZ PHE 91 24.171 9.525 8.673 724 H LYS 92 H LYS 92 23.466 16.226 5.239 725 HA LYS 92 HA LYS 92 23.420 16.245 8.028 726 HB2 LYS 92 1HB LYS 92 24.731 17.862 6.819 727 HB3 LYS 92 2HB LYS 92 23.295 18.523 6.048 728 HG2 LYS 92 1HG LYS 92 22.618 19.632 7.951 729 HG3 LYS 92 2HG LYS 92 23.530 18.567 9.023 730 HD2 LYS 92 1HD LYS 92 25.580 19.592 8.463 731 HD3 LYS 92 2HD LYS 92 24.876 20.413 7.067 732 HE2 LYS 92 1HE LYS 92 23.825 22.003 8.367 733 HE3 LYS 92 2HE LYS 92 23.799 20.969 9.795 734 HZ1 LYS 92 3HZ LYS 92 25.668 22.934 9.124 735 HZ2 LYS 92 1HZ LYS 92 26.468 21.444 9.087 736 HZ3 LYS 92 2HZ LYS 92 25.652 21.931 10.486 737 H LYS 93 H LYS 93 21.044 17.539 5.721 738 HA LYS 93 HA LYS 93 19.221 18.338 7.784 739 HB2 LYS 93 1HB LYS 93 17.972 19.274 6.112 740 HB3 LYS 93 2HB LYS 93 19.517 19.170 5.278 741 HG2 LYS 93 1HG LYS 93 18.606 16.828 4.534 742 HG3 LYS 93 2HG LYS 93 17.042 17.561 4.898 743 HD2 LYS 93 1HD LYS 93 17.549 19.406 3.375 744 HD3 LYS 93 2HD LYS 93 19.122 18.687 3.021 745 HE2 LYS 93 1HE LYS 93 17.725 18.058 1.234 746 HE3 LYS 93 2HE LYS 93 17.846 16.630 2.261 747 HZ1 LYS 93 3HZ LYS 93 15.567 18.489 1.968 748 HZ2 LYS 93 1HZ LYS 93 15.703 17.462 3.306 749 HZ3 LYS 93 2HZ LYS 93 15.594 16.812 1.748 750 H CYS 94 H CYS 94 19.804 15.452 5.976 751 HA CYS 94 HA CYS 94 17.325 14.204 6.053 752 HB2 CYS 94 1HB CYS 94 19.444 13.392 4.913 753 HB3 CYS 94 2HB CYS 94 19.952 12.781 6.482 754 HG CYS 94 HG CYS 94 18.256 10.748 6.658 755 H THR 95 H THR 95 19.935 14.084 8.469 756 HA THR 95 HA THR 95 17.982 13.032 10.408 757 HB THR 95 HB THR 95 19.923 12.216 11.706 758 HG1 THR 95 HG1 THR 95 21.482 12.905 9.425 759 HG21 THR 95 3HG2 THR 95 18.754 10.823 9.956 760 HG22 THR 95 1HG2 THR 95 20.400 10.323 10.343 761 HG23 THR 95 2HG2 THR 95 20.078 11.226 8.863 762 H GLY 96 H GLY 96 19.677 15.784 9.535 763 HA2 GLY 96 1HA GLY 96 19.378 17.862 10.631 764 HA3 GLY 96 2HA GLY 96 19.093 17.000 12.136 765 H ALA 97 H ALA 97 21.649 15.440 10.980 766 HA ALA 97 HA ALA 97 23.645 17.392 11.879 767 HB1 ALA 97 1HB ALA 97 24.003 14.614 12.838 768 HB2 ALA 97 2HB ALA 97 24.452 16.144 13.593 769 HB3 ALA 97 3HB ALA 97 22.776 15.594 13.642 770 H SER 98 H SER 98 25.812 16.915 11.208 771 HA SER 98 HA SER 98 25.981 15.935 8.570 772 HB2 SER 98 1HB SER 98 28.585 15.944 9.463 773 HB3 SER 98 2HB SER 98 27.735 17.336 8.793 774 HG SER 98 HG SER 98 28.641 17.843 10.809 775 HA PRO 99 HA PRO 99 26.830 11.649 8.954 776 HB2 PRO 99 1HB PRO 99 28.828 11.259 7.158 777 HB3 PRO 99 2HB PRO 99 27.160 11.595 6.680 778 HG2 PRO 99 1HG PRO 99 29.496 13.460 6.843 779 HG3 PRO 99 2HG PRO 99 28.253 13.331 5.585 780 HD2 PRO 99 1HD PRO 99 28.188 15.236 7.509 781 HD3 PRO 99 2HD PRO 99 26.714 14.538 6.806 782 H SER 100 H SER 100 29.588 13.808 9.246 783 HA SER 100 HA SER 100 31.425 11.902 10.252 784 HB2 SER 100 1HB SER 100 32.679 13.924 11.063 785 HB3 SER 100 2HB SER 100 32.259 13.975 9.351 786 HG SER 100 HG SER 100 31.757 15.823 11.050 787 H GLU 101 H GLU 101 28.987 13.929 11.746 788 HA GLU 101 HA GLU 101 29.843 13.497 14.431 789 HB2 GLU 101 1HB GLU 101 28.263 15.333 13.399 790 HB3 GLU 101 2HB GLU 101 27.006 14.155 13.753 791 HG2 GLU 101 1HG GLU 101 28.796 15.622 15.644 792 HG3 GLU 101 2HG GLU 101 27.036 15.522 15.626 793 H PHE 102 H PHE 102 27.264 12.100 12.426 794 HA PHE 102 HA PHE 102 26.245 10.346 14.367 795 HB2 PHE 102 1HB PHE 102 25.055 10.922 12.281 796 HB3 PHE 102 2HB PHE 102 26.248 10.012 11.360 797 HD1 PHE 102 HD2 PHE 102 23.490 9.753 13.780 798 HD2 PHE 102 HD1 PHE 102 26.157 7.643 11.220 799 HE1 PHE 102 HE2 PHE 102 22.147 7.712 14.069 800 HE2 PHE 102 HE1 PHE 102 24.817 5.598 11.504 801 HZ PHE 102 HZ PHE 102 22.810 5.631 12.931 802 H ARG 103 H ARG 103 28.737 9.898 11.890 803 HA ARG 103 HA ARG 103 29.199 7.170 12.282 804 HB2 ARG 103 1HB ARG 103 30.085 8.502 10.384 805 HB3 ARG 103 2HB ARG 103 31.217 9.275 11.485 806 HG2 ARG 103 1HG ARG 103 32.543 7.654 10.575 807 HG3 ARG 103 2HG ARG 103 31.930 6.810 11.999 808 HD2 ARG 103 1HD ARG 103 30.118 5.870 10.545 809 HD3 ARG 103 2HD ARG 103 30.955 6.567 9.159 810 HE ARG 103 HE ARG 103 32.411 4.818 9.239 811 HH11 ARG 103 2HH1 ARG 103 30.901 5.143 12.359 812 HH12 ARG 103 1HH1 ARG 103 31.644 3.720 13.012 813 HH21 ARG 103 2HH2 ARG 103 33.395 2.943 10.087 814 HH22 ARG 103 1HH2 ARG 103 33.063 2.470 11.719 815 H ALA 104 H ALA 104 30.320 9.975 14.048 816 HA ALA 104 HA ALA 104 32.386 8.728 15.511 817 HB1 ALA 104 1HB ALA 104 31.180 11.292 15.394 818 HB2 ALA 104 2HB ALA 104 31.211 10.781 17.082 819 HB3 ALA 104 3HB ALA 104 32.706 10.827 16.147 820 H GLY 105 H GLY 105 28.915 8.921 15.978 821 HA2 GLY 105 1HA GLY 105 27.637 7.404 17.229 822 HA3 GLY 105 2HA GLY 105 29.106 6.858 18.025 823 H CYS 106 H CYS 106 29.486 10.013 18.255 824 HA CYS 106 HA CYS 106 28.647 10.110 20.986 825 HB2 CYS 106 1HB CYS 106 30.682 11.265 19.897 826 HB3 CYS 106 2HB CYS 106 29.535 12.494 19.378 827 HG CYS 106 HG CYS 106 31.111 12.307 22.190 828 H GLU 107 H GLU 107 26.838 10.924 21.846 829 HA GLU 107 HA GLU 107 24.721 11.750 21.990 830 HB2 GLU 107 1HB GLU 107 26.054 13.698 20.135 831 HB3 GLU 107 2HB GLU 107 24.349 13.869 20.530 832 HG2 GLU 107 1HG GLU 107 25.099 13.782 22.974 833 HG3 GLU 107 2HG GLU 107 26.722 14.066 22.346 Start of MODEL 17 1 H1 MET 1 H MET 1 4.125 -0.968 0.249 2 HA MET 1 HA MET 1 1.835 0.746 -0.269 3 HB2 MET 1 1HB MET 1 3.085 1.649 -2.073 4 HB3 MET 1 2HB MET 1 4.224 1.427 -0.751 5 HG2 MET 1 1HG MET 1 4.344 -0.955 -2.160 6 HG3 MET 1 2HG MET 1 4.220 0.287 -3.405 7 HE1 MET 1 3HE MET 1 6.849 2.489 -3.284 8 HE2 MET 1 1HE MET 1 5.222 2.581 -2.608 9 HE3 MET 1 2HE MET 1 6.626 2.745 -1.553 10 H ASP 2 H ASP 2 1.485 0.664 -2.933 11 HA ASP 2 HA ASP 2 0.023 -1.790 -3.279 12 HB2 ASP 2 1HB ASP 2 -0.515 0.687 -4.083 13 HB3 ASP 2 2HB ASP 2 0.355 0.151 -5.518 14 H ASN 3 H ASN 3 0.317 -3.335 -4.905 15 HA ASN 3 HA ASN 3 2.921 -4.158 -5.404 16 HB2 ASN 3 1HB ASN 3 0.327 -4.820 -6.797 17 HB3 ASN 3 2HB ASN 3 1.849 -5.603 -7.211 18 HD21 ASN 3 2HD2 ASN 3 -0.868 -6.064 -5.572 19 HD22 ASN 3 1HD2 ASN 3 -0.310 -7.086 -4.296 20 H ARG 4 H ARG 4 0.712 -2.310 -7.467 21 HA ARG 4 HA ARG 4 2.344 -2.215 -9.750 22 HB2 ARG 4 1HB ARG 4 0.413 -0.066 -8.874 23 HB3 ARG 4 2HB ARG 4 0.926 -0.439 -10.514 24 HG2 ARG 4 1HG ARG 4 -0.151 -2.713 -10.174 25 HG3 ARG 4 2HG ARG 4 -0.888 -2.024 -8.727 26 HD2 ARG 4 1HD ARG 4 -2.123 -0.464 -9.961 27 HD3 ARG 4 2HD ARG 4 -1.120 -0.675 -11.396 28 HE ARG 4 HE ARG 4 -2.436 -2.440 -12.007 29 HH11 ARG 4 2HH1 ARG 4 -2.972 -1.742 -8.638 30 HH12 ARG 4 1HH1 ARG 4 -4.291 -2.855 -8.483 31 HH21 ARG 4 2HH2 ARG 4 -4.172 -3.908 -11.815 32 HH22 ARG 4 1HH2 ARG 4 -4.972 -4.087 -10.290 33 H VAL 5 H VAL 5 2.054 0.004 -6.997 34 HA VAL 5 HA VAL 5 3.921 1.905 -7.956 35 HB VAL 5 HB VAL 5 3.079 1.333 -5.111 36 HG11 VAL 5 1HG1 VAL 5 5.114 3.027 -6.130 37 HG12 VAL 5 2HG1 VAL 5 3.800 4.045 -5.538 38 HG13 VAL 5 3HG1 VAL 5 4.551 2.862 -4.467 39 HG21 VAL 5 3HG2 VAL 5 1.869 3.661 -5.858 40 HG22 VAL 5 1HG2 VAL 5 1.805 2.724 -7.351 41 HG23 VAL 5 2HG2 VAL 5 1.101 2.073 -5.871 42 H ARG 6 H ARG 6 4.218 -0.945 -5.895 43 HA ARG 6 HA ARG 6 6.811 -0.601 -4.971 44 HB2 ARG 6 1HB ARG 6 5.169 -2.407 -4.312 45 HB3 ARG 6 2HB ARG 6 5.620 -3.252 -5.786 46 HG2 ARG 6 1HG ARG 6 7.127 -4.267 -4.487 47 HG3 ARG 6 2HG ARG 6 8.054 -2.778 -4.677 48 HD2 ARG 6 1HD ARG 6 7.548 -2.031 -2.572 49 HD3 ARG 6 2HD ARG 6 6.020 -2.909 -2.512 50 HE ARG 6 HE ARG 6 8.185 -4.723 -2.549 51 HH11 ARG 6 2HH1 ARG 6 6.563 -2.450 -0.470 52 HH12 ARG 6 1HH1 ARG 6 7.000 -3.275 0.990 53 HH21 ARG 6 2HH2 ARG 6 8.767 -5.818 -0.635 54 HH22 ARG 6 1HH2 ARG 6 8.254 -5.190 0.895 55 H GLU 7 H GLU 7 5.660 -1.742 -8.085 56 HA GLU 7 HA GLU 7 8.105 -2.759 -9.052 57 HB2 GLU 7 1HB GLU 7 5.504 -1.966 -10.223 58 HB3 GLU 7 2HB GLU 7 6.875 -1.977 -11.325 59 HG2 GLU 7 1HG GLU 7 5.926 -4.288 -9.647 60 HG3 GLU 7 2HG GLU 7 5.697 -4.092 -11.384 61 H ALA 8 H ALA 8 6.701 0.465 -9.053 62 HA ALA 8 HA ALA 8 8.501 1.691 -10.831 63 HB1 ALA 8 1HB ALA 8 6.541 2.883 -10.343 64 HB2 ALA 8 2HB ALA 8 6.796 2.760 -8.602 65 HB3 ALA 8 3HB ALA 8 7.833 3.805 -9.574 66 H CYS 9 H CYS 9 8.631 1.162 -7.340 67 HA CYS 9 HA CYS 9 10.885 2.727 -6.780 68 HB2 CYS 9 1HB CYS 9 9.514 1.906 -4.981 69 HB3 CYS 9 2HB CYS 9 9.826 0.236 -5.436 70 HG CYS 9 HG CYS 9 12.703 1.682 -4.873 71 H GLN 10 H GLN 10 10.574 -0.546 -8.008 72 HA GLN 10 HA GLN 10 13.248 -1.355 -7.659 73 HB2 GLN 10 1HB GLN 10 11.096 -2.223 -9.581 74 HB3 GLN 10 2HB GLN 10 12.691 -2.965 -9.561 75 HG2 GLN 10 1HG GLN 10 10.966 -2.807 -7.111 76 HG3 GLN 10 2HG GLN 10 10.851 -4.132 -8.268 77 HE21 GLN 10 2HE2 GLN 10 11.965 -5.851 -7.726 78 HE22 GLN 10 1HE2 GLN 10 13.430 -5.877 -6.811 79 H TYR 11 H TYR 11 11.596 0.221 -10.368 80 HA TYR 11 HA TYR 11 13.856 0.237 -12.087 81 HB2 TYR 11 1HB TYR 11 11.634 0.445 -13.018 82 HB3 TYR 11 2HB TYR 11 11.337 1.911 -12.089 83 HD1 TYR 11 HD1 TYR 11 13.698 0.555 -14.648 84 HD2 TYR 11 HD2 TYR 11 11.659 3.961 -13.115 85 HE1 TYR 11 HE1 TYR 11 14.558 1.904 -16.516 86 HE2 TYR 11 HE2 TYR 11 12.512 5.318 -14.980 87 HH TYR 11 HH TYR 11 14.190 5.356 -16.612 88 H ILE 12 H ILE 12 12.420 2.680 -9.949 89 HA ILE 12 HA ILE 12 14.192 4.769 -10.550 90 HB ILE 12 HB ILE 12 12.711 4.221 -7.975 91 HG12 ILE 12 1HG1 ILE 12 12.018 6.081 -10.258 92 HG13 ILE 12 2HG1 ILE 12 11.319 4.480 -10.040 93 HG21 ILE 12 1HG2 ILE 12 13.017 6.909 -8.079 94 HG22 ILE 12 2HG2 ILE 12 14.074 5.822 -7.180 95 HG23 ILE 12 3HG2 ILE 12 14.538 6.372 -8.790 96 HD11 ILE 12 3HD1 ILE 12 9.765 5.353 -8.741 97 HD12 ILE 12 1HD1 ILE 12 11.008 5.884 -7.608 98 HD13 ILE 12 2HD1 ILE 12 10.496 6.948 -8.919 99 H SER 13 H SER 13 14.413 2.103 -8.264 100 HA SER 13 HA SER 13 16.596 2.978 -6.760 101 HB2 SER 13 1HB SER 13 16.785 0.766 -5.977 102 HB3 SER 13 2HB SER 13 15.080 0.922 -6.400 103 HG SER 13 HG SER 13 16.687 -0.908 -7.248 104 H ASP 14 H ASP 14 16.498 1.111 -9.772 105 HA ASP 14 HA ASP 14 19.301 0.761 -9.986 106 HB2 ASP 14 1HB ASP 14 17.299 -0.418 -11.232 107 HB3 ASP 14 2HB ASP 14 17.556 0.863 -12.413 108 H HIS 15 H HIS 15 17.112 3.308 -10.947 109 HA HIS 15 HA HIS 15 19.219 4.690 -12.422 110 HB2 HIS 15 1HB HIS 15 16.261 5.122 -12.106 111 HB3 HIS 15 2HB HIS 15 17.294 6.397 -12.746 112 HD1 HIS 15 HD1 HIS 15 17.187 6.429 -15.204 113 HD2 HIS 15 HD2 HIS 15 16.954 2.559 -13.713 114 HE1 HIS 15 HE1 HIS 15 17.017 4.940 -17.223 115 H LEU 16 H LEU 16 18.994 4.297 -9.388 116 HA LEU 16 HA LEU 16 18.534 6.825 -8.216 117 HB2 LEU 16 1HB LEU 16 18.526 4.720 -6.958 118 HB3 LEU 16 2HB LEU 16 20.257 4.551 -7.239 119 HG LEU 16 HG LEU 16 20.286 6.917 -6.019 120 HD11 LEU 16 1HD1 LEU 16 18.294 7.487 -5.212 121 HD12 LEU 16 2HD1 LEU 16 18.476 6.159 -4.066 122 HD13 LEU 16 3HD1 LEU 16 17.610 5.904 -5.581 123 HD21 LEU 16 3HD2 LEU 16 20.047 4.272 -4.589 124 HD22 LEU 16 1HD2 LEU 16 20.800 5.735 -3.954 125 HD23 LEU 16 2HD2 LEU 16 21.510 4.908 -5.341 126 H ALA 17 H ALA 17 21.267 5.434 -9.836 127 HA ALA 17 HA ALA 17 23.055 7.551 -8.919 128 HB1 ALA 17 1HB ALA 17 23.387 4.887 -10.044 129 HB2 ALA 17 2HB ALA 17 24.456 6.084 -10.776 130 HB3 ALA 17 3HB ALA 17 24.477 5.835 -9.031 131 H ASP 18 H ASP 18 21.042 6.762 -11.587 132 HA ASP 18 HA ASP 18 22.348 8.140 -13.657 133 HB2 ASP 18 1HB ASP 18 20.227 6.565 -13.647 134 HB3 ASP 18 2HB ASP 18 19.363 8.095 -13.525 135 H SER 19 H SER 19 22.438 10.237 -14.241 136 HA SER 19 HA SER 19 21.670 12.216 -12.310 137 HB2 SER 19 1HB SER 19 22.722 12.737 -15.093 138 HB3 SER 19 2HB SER 19 22.842 13.781 -13.677 139 HG SER 19 HG SER 19 24.199 12.183 -12.732 140 H ASN 20 H ASN 20 20.771 11.565 -15.694 141 HA ASN 20 HA ASN 20 18.580 13.463 -15.526 142 HB2 ASN 20 1HB ASN 20 19.281 11.634 -17.829 143 HB3 ASN 20 2HB ASN 20 18.280 13.082 -17.881 144 HD21 ASN 20 2HD2 ASN 20 21.091 12.000 -18.872 145 HD22 ASN 20 1HD2 ASN 20 22.067 13.420 -18.753 146 H PHE 21 H PHE 21 17.088 12.594 -14.128 147 HA PHE 21 HA PHE 21 16.186 9.872 -14.396 148 HB2 PHE 21 1HB PHE 21 16.220 10.817 -12.184 149 HB3 PHE 21 2HB PHE 21 15.223 12.176 -12.695 150 HD1 PHE 21 HD2 PHE 21 14.857 8.515 -13.271 151 HD2 PHE 21 HD1 PHE 21 13.240 12.047 -11.532 152 HE1 PHE 21 HE2 PHE 21 12.836 7.268 -12.627 153 HE2 PHE 21 HE1 PHE 21 11.216 10.806 -10.884 154 HZ PHE 21 HZ PHE 21 11.012 8.414 -11.432 155 H ASP 22 H ASP 22 14.370 9.134 -15.366 156 HA ASP 22 HA ASP 22 12.720 11.119 -16.790 157 HB2 ASP 22 1HB ASP 22 14.243 9.255 -17.991 158 HB3 ASP 22 2HB ASP 22 12.774 8.313 -17.752 159 H ILE 23 H ILE 23 11.044 11.366 -15.385 160 HA ILE 23 HA ILE 23 9.866 9.384 -13.816 161 HB ILE 23 HB ILE 23 9.501 11.840 -13.553 162 HG12 ILE 23 1HG1 ILE 23 6.989 11.589 -13.065 163 HG13 ILE 23 2HG1 ILE 23 7.160 9.946 -13.674 164 HG21 ILE 23 1HG2 ILE 23 9.084 12.294 -15.955 165 HG22 ILE 23 2HG2 ILE 23 7.518 11.499 -15.797 166 HG23 ILE 23 3HG2 ILE 23 7.853 12.974 -14.890 167 HD11 ILE 23 3HD1 ILE 23 8.343 11.178 -11.223 168 HD12 ILE 23 1HD1 ILE 23 7.373 9.714 -11.381 169 HD13 ILE 23 2HD1 ILE 23 9.045 9.730 -11.945 170 H ALA 24 H ALA 24 9.412 10.195 -17.174 171 HA ALA 24 HA ALA 24 6.937 8.944 -17.620 172 HB1 ALA 24 1HB ALA 24 7.825 10.433 -19.266 173 HB2 ALA 24 2HB ALA 24 9.258 9.426 -19.479 174 HB3 ALA 24 3HB ALA 24 7.679 8.836 -19.999 175 H SER 25 H SER 25 10.246 7.697 -17.726 176 HA SER 25 HA SER 25 9.633 5.141 -18.726 177 HB2 SER 25 1HB SER 25 11.922 6.039 -16.959 178 HB3 SER 25 2HB SER 25 11.840 4.479 -17.778 179 HG SER 25 HG SER 25 12.811 5.567 -19.308 180 H VAL 26 H VAL 26 9.661 6.458 -15.466 181 HA VAL 26 HA VAL 26 9.429 4.031 -14.057 182 HB VAL 26 HB VAL 26 8.325 6.717 -13.226 183 HG11 VAL 26 1HG1 VAL 26 7.934 5.850 -11.197 184 HG12 VAL 26 2HG1 VAL 26 7.991 4.289 -12.020 185 HG13 VAL 26 3HG1 VAL 26 9.427 4.911 -11.206 186 HG21 VAL 26 3HG2 VAL 26 11.050 5.818 -13.599 187 HG22 VAL 26 1HG2 VAL 26 10.435 7.431 -13.239 188 HG23 VAL 26 2HG2 VAL 26 10.745 6.293 -11.928 189 H ALA 27 H ALA 27 6.968 6.291 -15.259 190 HA ALA 27 HA ALA 27 4.745 4.847 -14.259 191 HB1 ALA 27 1HB ALA 27 5.146 7.287 -15.535 192 HB2 ALA 27 2HB ALA 27 4.124 6.362 -16.636 193 HB3 ALA 27 3HB ALA 27 3.613 6.623 -14.968 194 H GLN 28 H GLN 28 6.322 4.928 -17.440 195 HA GLN 28 HA GLN 28 4.558 3.188 -18.753 196 HB2 GLN 28 1HB GLN 28 6.115 4.538 -20.009 197 HB3 GLN 28 2HB GLN 28 7.485 3.752 -19.237 198 HG2 GLN 28 1HG GLN 28 6.966 1.671 -20.336 199 HG3 GLN 28 2HG GLN 28 5.504 2.370 -21.031 200 HE21 GLN 28 2HE2 GLN 28 5.675 3.024 -23.042 201 HE22 GLN 28 1HE2 GLN 28 7.127 3.515 -23.839 202 H HIS 29 H HIS 29 7.400 2.579 -16.771 203 HA HIS 29 HA HIS 29 7.774 -0.129 -17.335 204 HB2 HIS 29 1HB HIS 29 9.457 1.002 -16.091 205 HB3 HIS 29 2HB HIS 29 8.310 1.494 -14.848 206 HD1 HIS 29 HD1 HIS 29 8.693 -2.025 -16.175 207 HD2 HIS 29 HD2 HIS 29 9.418 0.167 -12.721 208 HE1 HIS 29 HE1 HIS 29 9.357 -3.714 -14.433 209 H VAL 30 H VAL 30 5.512 1.478 -15.185 210 HA VAL 30 HA VAL 30 4.497 -1.107 -14.250 211 HB VAL 30 HB VAL 30 3.074 0.295 -12.724 212 HG11 VAL 30 1HG1 VAL 30 6.064 0.312 -12.644 213 HG12 VAL 30 2HG1 VAL 30 5.135 1.103 -11.369 214 HG13 VAL 30 3HG1 VAL 30 4.923 -0.621 -11.675 215 HG21 VAL 30 3HG2 VAL 30 4.857 2.554 -13.621 216 HG22 VAL 30 1HG2 VAL 30 3.189 2.342 -14.154 217 HG23 VAL 30 2HG2 VAL 30 3.541 2.626 -12.449 218 H CYS 31 H CYS 31 4.088 0.194 -16.977 219 HA CYS 31 HA CYS 31 2.430 0.488 -18.511 220 HB2 CYS 31 1HB CYS 31 2.129 -1.941 -17.579 221 HB3 CYS 31 2HB CYS 31 0.665 -1.284 -16.858 222 HG CYS 31 HG CYS 31 1.037 -2.472 -19.827 223 H LEU 32 H LEU 32 2.503 2.434 -16.442 224 HA LEU 32 HA LEU 32 -0.309 3.272 -16.483 225 HB2 LEU 32 1HB LEU 32 1.217 2.579 -14.169 226 HB3 LEU 32 2HB LEU 32 0.854 4.303 -14.125 227 HG LEU 32 HG LEU 32 -0.772 2.823 -12.916 228 HD11 LEU 32 1HD1 LEU 32 -1.339 5.092 -13.639 229 HD12 LEU 32 2HD1 LEU 32 -2.733 4.014 -13.716 230 HD13 LEU 32 3HD1 LEU 32 -1.880 4.458 -15.194 231 HD21 LEU 32 3HD2 LEU 32 -0.658 1.075 -14.804 232 HD22 LEU 32 1HD2 LEU 32 -1.838 2.101 -15.621 233 HD23 LEU 32 2HD2 LEU 32 -2.220 1.398 -14.049 234 H SER 33 H SER 33 -0.554 5.629 -16.050 235 HA SER 33 HA SER 33 1.409 7.081 -17.596 236 HB2 SER 33 1HB SER 33 -1.369 7.505 -16.724 237 HB3 SER 33 2HB SER 33 -0.388 8.970 -16.754 238 HG SER 33 HG SER 33 0.097 8.540 -18.921 239 HA PRO 34 HA PRO 34 3.647 9.019 -14.360 240 HB2 PRO 34 1HB PRO 34 3.987 11.537 -15.314 241 HB3 PRO 34 2HB PRO 34 4.834 10.135 -15.980 242 HG2 PRO 34 1HG PRO 34 2.387 11.529 -16.997 243 HG3 PRO 34 2HG PRO 34 3.789 10.927 -17.900 244 HD2 PRO 34 1HD PRO 34 1.447 9.574 -17.773 245 HD3 PRO 34 2HD PRO 34 3.018 8.755 -17.896 246 H SER 35 H SER 35 0.895 10.924 -15.545 247 HA SER 35 HA SER 35 0.689 12.590 -13.265 248 HB2 SER 35 1HB SER 35 -0.310 13.130 -15.478 249 HB3 SER 35 2HB SER 35 -1.488 11.841 -15.232 250 HG SER 35 HG SER 35 -2.546 13.530 -14.444 251 H ARG 36 H ARG 36 -0.931 9.582 -14.204 252 HA ARG 36 HA ARG 36 -2.605 9.482 -11.899 253 HB2 ARG 36 1HB ARG 36 -2.713 8.238 -14.259 254 HB3 ARG 36 2HB ARG 36 -1.884 6.984 -13.346 255 HG2 ARG 36 1HG ARG 36 -4.447 8.237 -12.409 256 HG3 ARG 36 2HG ARG 36 -4.401 6.823 -13.465 257 HD2 ARG 36 1HD ARG 36 -2.849 5.808 -11.683 258 HD3 ARG 36 2HD ARG 36 -3.445 7.095 -10.636 259 HE ARG 36 HE ARG 36 -4.854 4.737 -11.443 260 HH11 ARG 36 2HH1 ARG 36 -5.217 8.055 -10.454 261 HH12 ARG 36 1HH1 ARG 36 -6.824 7.834 -9.846 262 HH21 ARG 36 2HH2 ARG 36 -6.969 4.433 -10.646 263 HH22 ARG 36 1HH2 ARG 36 -7.819 5.773 -9.955 264 H LEU 37 H LEU 37 0.453 7.928 -12.794 265 HA LEU 37 HA LEU 37 0.721 6.300 -10.530 266 HB2 LEU 37 1HB LEU 37 2.102 5.916 -12.433 267 HB3 LEU 37 2HB LEU 37 2.766 7.546 -12.352 268 HG LEU 37 HG LEU 37 3.771 6.842 -10.112 269 HD11 LEU 37 1HD1 LEU 37 4.158 4.426 -9.864 270 HD12 LEU 37 2HD1 LEU 37 3.074 4.127 -11.222 271 HD13 LEU 37 3HD1 LEU 37 2.450 4.848 -9.739 272 HD21 LEU 37 3HD2 LEU 37 4.666 6.611 -12.757 273 HD22 LEU 37 1HD2 LEU 37 5.186 5.138 -11.938 274 HD23 LEU 37 2HD2 LEU 37 5.646 6.714 -11.293 275 H SER 38 H SER 38 1.842 9.606 -11.151 276 HA SER 38 HA SER 38 3.251 9.983 -8.762 277 HB2 SER 38 1HB SER 38 3.320 11.495 -10.765 278 HB3 SER 38 2HB SER 38 1.736 12.109 -10.292 279 HG SER 38 HG SER 38 3.884 12.113 -8.469 280 H HIS 39 H HIS 39 -0.160 10.444 -9.542 281 HA HIS 39 HA HIS 39 -0.958 11.712 -7.178 282 HB2 HIS 39 1HB HIS 39 -2.379 11.540 -9.188 283 HB3 HIS 39 2HB HIS 39 -2.558 9.811 -8.906 284 HD1 HIS 39 HD1 HIS 39 -4.056 13.023 -8.100 285 HD2 HIS 39 HD2 HIS 39 -3.987 9.226 -6.414 286 HE1 HIS 39 HE1 HIS 39 -5.977 12.972 -6.478 287 H LEU 40 H LEU 40 -0.914 8.255 -8.010 288 HA LEU 40 HA LEU 40 -1.843 7.399 -5.459 289 HB2 LEU 40 1HB LEU 40 -0.335 5.854 -7.563 290 HB3 LEU 40 2HB LEU 40 -1.218 5.162 -6.204 291 HG LEU 40 HG LEU 40 -2.387 6.612 -8.576 292 HD11 LEU 40 1HD1 LEU 40 -3.373 3.961 -7.979 293 HD12 LEU 40 2HD1 LEU 40 -1.633 3.961 -8.264 294 HD13 LEU 40 3HD1 LEU 40 -2.726 4.613 -9.484 295 HD21 LEU 40 3HD2 LEU 40 -4.568 5.867 -7.499 296 HD22 LEU 40 1HD2 LEU 40 -3.744 7.242 -6.763 297 HD23 LEU 40 2HD2 LEU 40 -3.635 5.646 -6.018 298 H PHE 41 H PHE 41 1.308 8.004 -6.848 299 HA PHE 41 HA PHE 41 2.869 6.666 -4.922 300 HB2 PHE 41 1HB PHE 41 3.377 8.072 -7.244 301 HB3 PHE 41 2HB PHE 41 4.085 9.098 -6.001 302 HD1 PHE 41 HD1 PHE 41 4.219 5.822 -7.635 303 HD2 PHE 41 HD2 PHE 41 6.010 8.393 -4.754 304 HE1 PHE 41 HE1 PHE 41 6.201 4.365 -7.572 305 HE2 PHE 41 HE2 PHE 41 7.995 6.941 -4.687 306 HZ PHE 41 HZ PHE 41 8.093 4.924 -6.097 307 H ARG 42 H ARG 42 1.437 9.868 -5.009 308 HA ARG 42 HA ARG 42 2.834 11.001 -2.848 309 HB2 ARG 42 1HB ARG 42 0.757 11.774 -4.588 310 HB3 ARG 42 2HB ARG 42 0.118 11.953 -2.960 311 HG2 ARG 42 1HG ARG 42 2.616 13.068 -2.752 312 HG3 ARG 42 2HG ARG 42 2.106 13.536 -4.375 313 HD2 ARG 42 1HD ARG 42 0.730 15.070 -3.547 314 HD3 ARG 42 2HD ARG 42 -0.078 13.858 -2.554 315 HE ARG 42 HE ARG 42 2.202 14.413 -1.182 316 HH11 ARG 42 2HH1 ARG 42 -0.403 16.341 -2.452 317 HH12 ARG 42 1HH1 ARG 42 -0.277 17.556 -1.224 318 HH21 ARG 42 2HH2 ARG 42 2.379 16.006 0.441 319 HH22 ARG 42 1HH2 ARG 42 1.307 17.365 0.421 320 H GLN 43 H GLN 43 -0.262 9.263 -2.971 321 HA GLN 43 HA GLN 43 -0.601 9.385 -0.115 322 HB2 GLN 43 1HB GLN 43 -2.519 9.373 -1.697 323 HB3 GLN 43 2HB GLN 43 -2.101 7.725 -2.147 324 HG2 GLN 43 1HG GLN 43 -3.183 6.892 -0.405 325 HG3 GLN 43 2HG GLN 43 -2.352 7.976 0.710 326 HE21 GLN 43 2HE2 GLN 43 -4.068 8.514 1.960 327 HE22 GLN 43 1HE2 GLN 43 -5.438 9.397 1.389 328 H GLN 44 H GLN 44 0.606 7.083 -2.460 329 HA GLN 44 HA GLN 44 0.657 4.837 -0.719 330 HB2 GLN 44 1HB GLN 44 1.977 5.489 -3.336 331 HB3 GLN 44 2HB GLN 44 2.399 4.024 -2.459 332 HG2 GLN 44 1HG GLN 44 -0.389 4.755 -3.322 333 HG3 GLN 44 2HG GLN 44 0.692 3.682 -4.210 334 HE21 GLN 44 2HE2 GLN 44 -1.880 3.038 -3.149 335 HE22 GLN 44 1HE2 GLN 44 -1.656 1.776 -1.991 336 H LEU 45 H LEU 45 3.018 7.314 -1.592 337 HA LEU 45 HA LEU 45 4.924 6.169 0.319 338 HB2 LEU 45 1HB LEU 45 5.181 8.144 -1.923 339 HB3 LEU 45 2HB LEU 45 6.433 7.987 -0.692 340 HG LEU 45 HG LEU 45 7.058 6.740 -2.658 341 HD11 LEU 45 1HD1 LEU 45 7.696 4.775 -1.620 342 HD12 LEU 45 2HD1 LEU 45 6.184 4.635 -0.723 343 HD13 LEU 45 3HD1 LEU 45 7.381 5.841 -0.250 344 HD21 LEU 45 3HD2 LEU 45 4.614 5.027 -2.300 345 HD22 LEU 45 1HD2 LEU 45 5.752 5.050 -3.647 346 HD23 LEU 45 2HD2 LEU 45 4.651 6.406 -3.399 347 H GLY 46 H GLY 46 2.538 8.513 0.142 348 HA2 GLY 46 1HA GLY 46 1.855 10.058 1.711 349 HA3 GLY 46 2HA GLY 46 3.202 9.554 2.721 350 H ILE 47 H ILE 47 4.491 10.280 -0.211 351 HA ILE 47 HA ILE 47 4.636 13.158 0.158 352 HB ILE 47 HB ILE 47 7.053 13.252 0.266 353 HG12 ILE 47 1HG1 ILE 47 6.964 10.230 0.402 354 HG13 ILE 47 2HG1 ILE 47 7.518 11.171 -0.979 355 HG21 ILE 47 1HG2 ILE 47 7.375 12.523 2.526 356 HG22 ILE 47 2HG2 ILE 47 5.716 13.095 2.358 357 HG23 ILE 47 3HG2 ILE 47 6.053 11.365 2.390 358 HD11 ILE 47 3HD1 ILE 47 8.780 11.279 1.747 359 HD12 ILE 47 1HD1 ILE 47 9.336 10.245 0.431 360 HD13 ILE 47 2HD1 ILE 47 9.384 12.000 0.256 361 H SER 48 H SER 48 6.338 14.030 -1.545 362 HA SER 48 HA SER 48 5.364 13.160 -4.097 363 HB2 SER 48 1HB SER 48 7.272 14.909 -4.786 364 HB3 SER 48 2HB SER 48 5.696 15.425 -4.185 365 HG SER 48 HG SER 48 6.619 16.173 -2.451 366 H VAL 49 H VAL 49 6.485 12.185 -5.764 367 HA VAL 49 HA VAL 49 8.299 10.185 -5.160 368 HB VAL 49 HB VAL 49 7.004 10.197 -7.230 369 HG11 VAL 49 1HG1 VAL 49 8.831 12.024 -8.640 370 HG12 VAL 49 2HG1 VAL 49 7.089 11.799 -8.813 371 HG13 VAL 49 3HG1 VAL 49 7.726 12.786 -7.497 372 HG21 VAL 49 3HG2 VAL 49 8.519 8.960 -8.363 373 HG22 VAL 49 1HG2 VAL 49 9.748 10.225 -8.314 374 HG23 VAL 49 2HG2 VAL 49 9.481 9.198 -6.905 375 H LEU 50 H LEU 50 8.887 13.516 -6.114 376 HA LEU 50 HA LEU 50 11.640 13.307 -6.642 377 HB2 LEU 50 1HB LEU 50 10.092 15.666 -5.579 378 HB3 LEU 50 2HB LEU 50 11.703 15.729 -6.291 379 HG LEU 50 HG LEU 50 9.129 15.045 -7.706 380 HD11 LEU 50 1HD1 LEU 50 9.139 17.345 -7.516 381 HD12 LEU 50 2HD1 LEU 50 9.964 17.099 -9.055 382 HD13 LEU 50 3HD1 LEU 50 10.897 17.451 -7.601 383 HD21 LEU 50 3HD2 LEU 50 11.964 14.649 -8.436 384 HD22 LEU 50 1HD2 LEU 50 10.919 15.340 -9.677 385 HD23 LEU 50 2HD2 LEU 50 10.522 13.779 -8.960 386 H SER 51 H SER 51 9.877 14.066 -3.661 387 HA SER 51 HA SER 51 12.237 14.433 -2.096 388 HB2 SER 51 1HB SER 51 9.983 15.421 -1.562 389 HB3 SER 51 2HB SER 51 9.452 13.805 -1.095 390 HG SER 51 HG SER 51 11.173 15.559 0.196 391 H TRP 52 H TRP 52 10.019 11.751 -2.667 392 HA TRP 52 HA TRP 52 10.952 9.991 -0.711 393 HB2 TRP 52 1HB TRP 52 8.916 9.508 -1.903 394 HB3 TRP 52 2HB TRP 52 9.774 9.443 -3.440 395 HD1 TRP 52 HD1 TRP 52 9.125 7.388 -0.284 396 HE1 TRP 52 HE1 TRP 52 9.836 4.954 -0.724 397 HE3 TRP 52 HE3 TRP 52 11.365 8.008 -4.837 398 HZ2 TRP 52 HZ2 TRP 52 11.171 3.490 -2.734 399 HZ3 TRP 52 HZ3 TRP 52 12.335 6.040 -5.951 400 HH2 TRP 52 HH2 TRP 52 12.240 3.829 -4.920 401 H ARG 53 H ARG 53 12.114 10.611 -3.989 402 HA ARG 53 HA ARG 53 13.946 8.517 -4.200 403 HB2 ARG 53 1HB ARG 53 13.319 9.922 -6.099 404 HB3 ARG 53 2HB ARG 53 14.111 11.305 -5.356 405 HG2 ARG 53 1HG ARG 53 15.684 10.616 -6.882 406 HG3 ARG 53 2HG ARG 53 16.223 9.797 -5.414 407 HD2 ARG 53 1HD ARG 53 16.127 7.875 -6.523 408 HD3 ARG 53 2HD ARG 53 14.377 8.069 -6.613 409 HE ARG 53 HE ARG 53 14.602 8.506 -8.837 410 HH11 ARG 53 2HH1 ARG 53 17.659 9.097 -7.278 411 HH12 ARG 53 1HH1 ARG 53 18.500 9.415 -8.759 412 HH21 ARG 53 2HH2 ARG 53 15.699 8.923 -10.793 413 HH22 ARG 53 1HH2 ARG 53 17.384 9.317 -10.757 414 H GLU 54 H GLU 54 14.374 11.796 -2.908 415 HA GLU 54 HA GLU 54 17.124 11.528 -2.319 416 HB2 GLU 54 1HB GLU 54 15.663 13.661 -2.449 417 HB3 GLU 54 2HB GLU 54 15.265 13.312 -0.773 418 HG2 GLU 54 1HG GLU 54 17.796 13.236 -0.391 419 HG3 GLU 54 2HG GLU 54 17.918 14.028 -1.961 420 H ASP 55 H ASP 55 14.202 10.992 -0.399 421 HA ASP 55 HA ASP 55 15.401 10.520 2.075 422 HB2 ASP 55 1HB ASP 55 12.947 10.790 1.667 423 HB3 ASP 55 2HB ASP 55 12.922 9.159 1.004 424 H GLN 56 H GLN 56 14.713 8.290 -0.589 425 HA GLN 56 HA GLN 56 15.576 5.949 0.736 426 HB2 GLN 56 1HB GLN 56 15.091 6.704 -2.117 427 HB3 GLN 56 2HB GLN 56 15.916 5.192 -1.760 428 HG2 GLN 56 1HG GLN 56 13.182 5.998 -0.794 429 HG3 GLN 56 2HG GLN 56 13.543 4.831 -2.066 430 HE21 GLN 56 2HE2 GLN 56 12.784 5.180 1.123 431 HE22 GLN 56 1HE2 GLN 56 13.325 3.650 1.714 432 H ARG 57 H ARG 57 17.244 8.387 -1.157 433 HA ARG 57 HA ARG 57 19.659 7.014 -1.570 434 HB2 ARG 57 1HB ARG 57 18.958 9.937 -1.424 435 HB3 ARG 57 2HB ARG 57 20.614 9.404 -1.683 436 HG2 ARG 57 1HG ARG 57 20.130 8.498 -3.766 437 HG3 ARG 57 2HG ARG 57 18.398 8.423 -3.437 438 HD2 ARG 57 1HD ARG 57 18.062 10.593 -3.990 439 HD3 ARG 57 2HD ARG 57 19.630 11.105 -3.367 440 HE ARG 57 HE ARG 57 20.157 9.606 -5.620 441 HH11 ARG 57 2HH1 ARG 57 18.403 12.514 -4.855 442 HH12 ARG 57 1HH1 ARG 57 18.664 13.236 -6.408 443 HH21 ARG 57 2HH2 ARG 57 20.508 10.545 -7.669 444 HH22 ARG 57 1HH2 ARG 57 19.861 12.115 -8.009 445 H ILE 58 H ILE 58 18.651 9.213 1.031 446 HA ILE 58 HA ILE 58 21.091 9.121 2.454 447 HB ILE 58 HB ILE 58 18.338 9.667 3.569 448 HG12 ILE 58 1HG1 ILE 58 18.849 11.118 1.647 449 HG13 ILE 58 2HG1 ILE 58 18.826 12.032 3.152 450 HG21 ILE 58 1HG2 ILE 58 20.200 11.216 4.903 451 HG22 ILE 58 2HG2 ILE 58 19.431 9.749 5.508 452 HG23 ILE 58 3HG2 ILE 58 21.002 9.657 4.713 453 HD11 ILE 58 3HD1 ILE 58 21.303 11.879 3.205 454 HD12 ILE 58 1HD1 ILE 58 21.243 11.130 1.609 455 HD13 ILE 58 2HD1 ILE 58 20.662 12.781 1.832 456 H SER 59 H SER 59 18.061 7.305 2.797 457 HA SER 59 HA SER 59 18.822 5.817 5.062 458 HB2 SER 59 1HB SER 59 16.516 5.833 4.565 459 HB3 SER 59 2HB SER 59 16.786 5.361 2.888 460 HG SER 59 HG SER 59 16.038 3.696 4.477 461 H GLN 60 H GLN 60 19.257 5.266 1.612 462 HA GLN 60 HA GLN 60 20.250 2.609 1.870 463 HB2 GLN 60 1HB GLN 60 19.283 3.796 -0.217 464 HB3 GLN 60 2HB GLN 60 20.907 4.437 -0.422 465 HG2 GLN 60 1HG GLN 60 20.692 2.499 -1.785 466 HG3 GLN 60 2HG GLN 60 21.763 2.109 -0.440 467 HE21 GLN 60 2HE2 GLN 60 21.464 0.040 0.000 468 HE22 GLN 60 1HE2 GLN 60 19.937 -0.734 0.230 469 H ALA 61 H ALA 61 21.745 5.798 1.717 470 HA ALA 61 HA ALA 61 24.408 5.051 1.412 471 HB1 ALA 61 1HB ALA 61 23.244 7.401 1.501 472 HB2 ALA 61 2HB ALA 61 23.731 7.339 3.196 473 HB3 ALA 61 3HB ALA 61 24.947 7.219 1.923 474 H LYS 62 H LYS 62 22.402 5.198 4.305 475 HA LYS 62 HA LYS 62 24.441 4.834 6.209 476 HB2 LYS 62 1HB LYS 62 21.506 4.128 6.276 477 HB3 LYS 62 2HB LYS 62 22.569 3.983 7.670 478 HG2 LYS 62 1HG LYS 62 22.997 6.364 7.631 479 HG3 LYS 62 2HG LYS 62 22.018 6.538 6.173 480 HD2 LYS 62 1HD LYS 62 20.203 5.361 7.712 481 HD3 LYS 62 2HD LYS 62 21.183 6.086 8.989 482 HE2 LYS 62 1HE LYS 62 20.748 8.249 8.264 483 HE3 LYS 62 2HE LYS 62 20.297 7.721 6.644 484 HZ1 LYS 62 3HZ LYS 62 18.711 7.214 9.103 485 HZ2 LYS 62 1HZ LYS 62 18.271 6.790 7.526 486 HZ3 LYS 62 2HZ LYS 62 18.379 8.419 7.964 487 H LEU 63 H LEU 63 22.492 2.535 4.370 488 HA LEU 63 HA LEU 63 23.339 0.200 5.697 489 HB2 LEU 63 1HB LEU 63 21.436 0.622 3.954 490 HB3 LEU 63 2HB LEU 63 22.684 0.199 2.784 491 HG LEU 63 HG LEU 63 22.040 -1.633 5.068 492 HD11 LEU 63 1HD1 LEU 63 20.493 -1.212 2.544 493 HD12 LEU 63 2HD1 LEU 63 19.907 -1.465 4.187 494 HD13 LEU 63 3HD1 LEU 63 20.592 -2.812 3.278 495 HD21 LEU 63 3HD2 LEU 63 23.482 -1.774 2.472 496 HD22 LEU 63 1HD2 LEU 63 22.662 -3.223 3.053 497 HD23 LEU 63 2HD2 LEU 63 23.905 -2.458 4.043 498 H LEU 64 H LEU 64 24.571 1.842 2.804 499 HA LEU 64 HA LEU 64 26.627 -0.052 2.292 500 HB2 LEU 64 1HB LEU 64 26.537 2.837 1.445 501 HB3 LEU 64 2HB LEU 64 27.470 1.539 0.702 502 HG LEU 64 HG LEU 64 24.582 1.055 0.736 503 HD11 LEU 64 1HD1 LEU 64 25.725 3.469 -0.631 504 HD12 LEU 64 2HD1 LEU 64 24.285 3.349 0.379 505 HD13 LEU 64 3HD1 LEU 64 24.289 2.643 -1.237 506 HD21 LEU 64 3HD2 LEU 64 25.401 0.906 -1.832 507 HD22 LEU 64 1HD2 LEU 64 25.557 -0.411 -0.669 508 HD23 LEU 64 2HD2 LEU 64 26.931 0.647 -0.992 509 H LEU 65 H LEU 65 26.557 3.090 3.933 510 HA LEU 65 HA LEU 65 29.331 3.193 4.490 511 HB2 LEU 65 1HB LEU 65 26.908 4.642 5.370 512 HB3 LEU 65 2HB LEU 65 28.305 4.718 6.442 513 HG LEU 65 HG LEU 65 28.500 5.442 3.532 514 HD11 LEU 65 1HD1 LEU 65 28.328 7.824 4.388 515 HD12 LEU 65 2HD1 LEU 65 27.607 7.140 5.845 516 HD13 LEU 65 3HD1 LEU 65 26.823 6.910 4.282 517 HD21 LEU 65 3HD2 LEU 65 30.146 6.018 5.988 518 HD22 LEU 65 1HD2 LEU 65 30.384 6.827 4.440 519 HD23 LEU 65 2HD2 LEU 65 30.613 5.083 4.567 520 H SER 66 H SER 66 26.669 1.573 5.993 521 HA SER 66 HA SER 66 28.156 1.055 8.442 522 HB2 SER 66 1HB SER 66 25.371 0.298 7.544 523 HB3 SER 66 2HB SER 66 26.071 -0.227 9.075 524 HG SER 66 HG SER 66 24.777 1.733 9.169 525 H THR 67 H THR 67 27.347 -0.485 5.445 526 HA THR 67 HA THR 67 28.241 -3.097 6.399 527 HB THR 67 HB THR 67 26.207 -2.763 4.866 528 HG1 THR 67 HG1 THR 67 26.524 -4.796 4.224 529 HG21 THR 67 3HG2 THR 67 27.943 -1.380 3.301 530 HG22 THR 67 1HG2 THR 67 26.452 -2.119 2.717 531 HG23 THR 67 2HG2 THR 67 27.988 -2.967 2.533 532 H THR 68 H THR 68 29.520 -0.342 4.940 533 HA THR 68 HA THR 68 31.911 -1.849 4.127 534 HB THR 68 HB THR 68 32.189 -0.680 2.126 535 HG1 THR 68 HG1 THR 68 30.051 1.091 2.528 536 HG21 THR 68 3HG2 THR 68 29.921 -2.130 2.471 537 HG22 THR 68 1HG2 THR 68 30.455 -1.480 0.922 538 HG23 THR 68 2HG2 THR 68 29.258 -0.607 1.878 539 H ARG 69 H ARG 69 33.790 -0.224 3.747 540 HA ARG 69 HA ARG 69 33.731 1.771 5.916 541 HB2 ARG 69 1HB ARG 69 36.111 1.311 6.286 542 HB3 ARG 69 2HB ARG 69 35.139 -0.138 6.504 543 HG2 ARG 69 1HG ARG 69 36.309 0.334 3.823 544 HG3 ARG 69 2HG ARG 69 37.400 -0.139 5.128 545 HD2 ARG 69 1HD ARG 69 35.547 -1.960 5.560 546 HD3 ARG 69 2HD ARG 69 35.167 -1.654 3.866 547 HE ARG 69 HE ARG 69 37.853 -2.042 3.863 548 HH11 ARG 69 2HH1 ARG 69 35.146 -3.869 5.068 549 HH12 ARG 69 1HH1 ARG 69 35.914 -5.405 4.840 550 HH21 ARG 69 2HH2 ARG 69 38.875 -4.059 3.558 551 HH22 ARG 69 1HH2 ARG 69 38.036 -5.512 3.982 552 H MET 70 H MET 70 33.318 1.863 2.881 553 HA MET 70 HA MET 70 35.486 3.246 1.730 554 HB2 MET 70 1HB MET 70 32.547 3.176 1.056 555 HB3 MET 70 2HB MET 70 33.723 4.059 0.092 556 HG2 MET 70 1HG MET 70 34.920 2.006 -0.377 557 HG3 MET 70 2HG MET 70 33.806 1.103 0.647 558 HE1 MET 70 3HE MET 70 31.336 0.468 -0.025 559 HE2 MET 70 1HE MET 70 31.019 2.202 0.054 560 HE3 MET 70 2HE MET 70 30.471 1.268 -1.339 561 HA PRO 71 HA PRO 71 35.199 7.318 3.342 562 HB2 PRO 71 1HB PRO 71 35.897 8.807 1.182 563 HB3 PRO 71 2HB PRO 71 37.055 7.824 2.086 564 HG2 PRO 71 1HG PRO 71 35.647 7.208 -0.483 565 HG3 PRO 71 2HG PRO 71 37.342 6.934 -0.043 566 HD2 PRO 71 1HD PRO 71 35.488 4.961 0.002 567 HD3 PRO 71 2HD PRO 71 36.858 5.010 1.130 568 H ILE 72 H ILE 72 34.131 9.430 3.075 569 HA ILE 72 HA ILE 72 31.399 9.162 2.479 570 HB ILE 72 HB ILE 72 32.940 11.749 2.689 571 HG12 ILE 72 1HG1 ILE 72 31.646 10.088 4.862 572 HG13 ILE 72 2HG1 ILE 72 33.376 10.314 4.631 573 HG21 ILE 72 1HG2 ILE 72 30.983 12.776 2.490 574 HG22 ILE 72 2HG2 ILE 72 30.244 11.220 2.114 575 HG23 ILE 72 3HG2 ILE 72 30.293 11.793 3.781 576 HD11 ILE 72 3HD1 ILE 72 33.048 12.741 5.025 577 HD12 ILE 72 1HD1 ILE 72 31.360 12.404 5.410 578 HD13 ILE 72 2HD1 ILE 72 32.646 11.726 6.409 579 H ALA 73 H ALA 73 34.112 10.244 0.566 580 HA ALA 73 HA ALA 73 32.670 11.544 -1.486 581 HB1 ALA 73 1HB ALA 73 34.935 12.044 -1.456 582 HB2 ALA 73 2HB ALA 73 35.410 10.352 -1.305 583 HB3 ALA 73 3HB ALA 73 34.791 10.960 -2.840 584 H THR 74 H THR 74 33.887 8.217 -1.189 585 HA THR 74 HA THR 74 32.952 7.333 -3.703 586 HB THR 74 HB THR 74 33.454 5.683 -1.219 587 HG1 THR 74 HG1 THR 74 35.140 6.655 -3.276 588 HG21 THR 74 3HG2 THR 74 33.254 4.935 -4.136 589 HG22 THR 74 1HG2 THR 74 32.193 4.414 -2.828 590 HG23 THR 74 2HG2 THR 74 33.869 3.864 -2.877 591 H VAL 75 H VAL 75 31.591 6.968 -0.432 592 HA VAL 75 HA VAL 75 29.291 5.557 -1.128 593 HB VAL 75 HB VAL 75 29.539 7.584 1.098 594 HG11 VAL 75 1HG1 VAL 75 27.532 6.930 1.820 595 HG12 VAL 75 2HG1 VAL 75 27.312 6.204 0.226 596 HG13 VAL 75 3HG1 VAL 75 27.908 5.226 1.568 597 HG21 VAL 75 3HG2 VAL 75 30.870 5.071 0.688 598 HG22 VAL 75 1HG2 VAL 75 31.050 6.230 2.006 599 HG23 VAL 75 2HG2 VAL 75 29.812 4.977 2.096 600 H GLY 76 H GLY 76 29.904 9.039 -1.066 601 HA2 GLY 76 1HA GLY 76 27.315 9.978 -1.445 602 HA3 GLY 76 2HA GLY 76 28.765 10.790 -2.017 603 H ARG 77 H ARG 77 29.540 8.578 -3.765 604 HA ARG 77 HA ARG 77 28.113 9.393 -6.088 605 HB2 ARG 77 1HB ARG 77 30.330 7.504 -5.485 606 HB3 ARG 77 2HB ARG 77 29.452 7.262 -6.989 607 HG2 ARG 77 1HG ARG 77 30.575 9.938 -6.241 608 HG3 ARG 77 2HG ARG 77 31.550 8.709 -7.050 609 HD2 ARG 77 1HD ARG 77 28.959 9.871 -8.068 610 HD3 ARG 77 2HD ARG 77 30.573 10.274 -8.653 611 HE ARG 77 HE ARG 77 29.015 7.982 -9.347 612 HH11 ARG 77 2HH1 ARG 77 32.266 9.161 -8.943 613 HH12 ARG 77 1HH1 ARG 77 32.957 8.018 -10.046 614 HH21 ARG 77 2HH2 ARG 77 29.913 6.472 -10.803 615 HH22 ARG 77 1HH2 ARG 77 31.618 6.490 -11.105 616 H ASN 78 H ASN 78 27.944 6.622 -3.949 617 HA ASN 78 HA ASN 78 26.375 4.943 -5.573 618 HB2 ASN 78 1HB ASN 78 26.847 5.138 -2.614 619 HB3 ASN 78 2HB ASN 78 25.642 4.019 -3.247 620 HD21 ASN 78 2HD2 ASN 78 29.011 4.767 -2.997 621 HD22 ASN 78 1HD2 ASN 78 29.603 3.261 -3.602 622 H VAL 79 H VAL 79 25.568 7.630 -3.488 623 HA VAL 79 HA VAL 79 22.711 7.124 -3.723 624 HB VAL 79 HB VAL 79 22.493 9.217 -2.360 625 HG11 VAL 79 1HG1 VAL 79 22.966 8.148 -0.335 626 HG12 VAL 79 2HG1 VAL 79 22.707 6.822 -1.470 627 HG13 VAL 79 3HG1 VAL 79 24.346 7.282 -1.009 628 HG21 VAL 79 3HG2 VAL 79 24.630 10.233 -3.085 629 HG22 VAL 79 1HG2 VAL 79 24.455 10.177 -1.331 630 HG23 VAL 79 2HG2 VAL 79 25.496 9.014 -2.151 631 H GLY 80 H GLY 80 24.752 8.123 -5.895 632 HA2 GLY 80 1HA GLY 80 24.433 9.284 -7.865 633 HA3 GLY 80 2HA GLY 80 22.825 9.713 -7.299 634 H PHE 81 H PHE 81 25.671 10.399 -5.405 635 HA PHE 81 HA PHE 81 25.390 13.251 -6.088 636 HB2 PHE 81 1HB PHE 81 25.888 12.001 -3.381 637 HB3 PHE 81 2HB PHE 81 26.051 13.723 -3.711 638 HD1 PHE 81 HD2 PHE 81 23.685 13.965 -5.595 639 HD2 PHE 81 HD1 PHE 81 24.140 12.085 -1.804 640 HE1 PHE 81 HE2 PHE 81 21.284 14.275 -5.158 641 HE2 PHE 81 HE1 PHE 81 21.739 12.391 -1.360 642 HZ PHE 81 HZ PHE 81 20.308 13.488 -3.038 643 H ASP 82 H ASP 82 27.147 13.991 -7.057 644 HA ASP 82 HA ASP 82 29.656 12.583 -6.902 645 HB2 ASP 82 1HB ASP 82 29.280 15.272 -8.197 646 HB3 ASP 82 2HB ASP 82 30.391 13.979 -8.641 647 H ASP 83 H ASP 83 28.252 15.473 -5.535 648 HA ASP 83 HA ASP 83 30.795 16.360 -4.441 649 HB2 ASP 83 1HB ASP 83 27.999 17.474 -4.407 650 HB3 ASP 83 2HB ASP 83 29.258 18.135 -3.368 651 H GLN 84 H GLN 84 31.556 15.584 -2.598 652 HA GLN 84 HA GLN 84 30.120 13.859 -0.904 653 HB2 GLN 84 1HB GLN 84 32.051 14.124 0.642 654 HB3 GLN 84 2HB GLN 84 32.524 13.735 -1.007 655 HG2 GLN 84 1HG GLN 84 32.970 16.149 -1.384 656 HG3 GLN 84 2HG GLN 84 32.649 16.427 0.327 657 HE21 GLN 84 2HE2 GLN 84 33.911 14.727 1.732 658 HE22 GLN 84 1HE2 GLN 84 35.596 14.622 1.367 659 H LEU 85 H LEU 85 30.854 17.308 -0.680 660 HA LEU 85 HA LEU 85 29.859 17.719 1.921 661 HB2 LEU 85 1HB LEU 85 30.529 19.412 -0.408 662 HB3 LEU 85 2HB LEU 85 29.434 20.113 0.783 663 HG LEU 85 HG LEU 85 31.716 20.796 1.221 664 HD11 LEU 85 1HD1 LEU 85 31.696 20.453 3.499 665 HD12 LEU 85 2HD1 LEU 85 31.142 18.785 3.352 666 HD13 LEU 85 3HD1 LEU 85 30.019 20.115 3.072 667 HD21 LEU 85 3HD2 LEU 85 33.516 19.391 1.427 668 HD22 LEU 85 1HD2 LEU 85 32.580 18.540 0.199 669 HD23 LEU 85 2HD2 LEU 85 32.524 18.004 1.878 670 H TYR 86 H TYR 86 28.299 17.586 -1.210 671 HA TYR 86 HA TYR 86 25.845 18.757 -0.554 672 HB2 TYR 86 1HB TYR 86 26.568 18.208 -2.862 673 HB3 TYR 86 2HB TYR 86 26.343 16.499 -2.506 674 HD1 TYR 86 HD1 TYR 86 24.010 15.690 -1.921 675 HD2 TYR 86 HD2 TYR 86 24.764 19.541 -3.567 676 HE1 TYR 86 HE1 TYR 86 21.652 15.855 -2.598 677 HE2 TYR 86 HE2 TYR 86 22.407 19.717 -4.247 678 HH TYR 86 HH TYR 86 20.173 17.017 -3.853 679 H PHE 87 H PHE 87 26.863 15.354 -0.418 680 HA PHE 87 HA PHE 87 24.401 14.370 0.567 681 HB2 PHE 87 1HB PHE 87 25.906 12.828 -0.472 682 HB3 PHE 87 2HB PHE 87 27.203 13.249 0.641 683 HD1 PHE 87 HD2 PHE 87 23.719 11.917 0.711 684 HD2 PHE 87 HD1 PHE 87 27.632 11.820 2.383 685 HE1 PHE 87 HE2 PHE 87 23.037 10.075 2.192 686 HE2 PHE 87 HE1 PHE 87 26.957 9.978 3.867 687 HZ PHE 87 HZ PHE 87 24.656 9.103 3.774 688 H SER 88 H SER 88 27.358 15.477 2.142 689 HA SER 88 HA SER 88 26.657 14.708 4.767 690 HB2 SER 88 1HB SER 88 28.490 16.934 3.844 691 HB3 SER 88 2HB SER 88 28.421 16.281 5.481 692 HG SER 88 HG SER 88 29.330 14.436 4.804 693 H ARG 89 H ARG 89 26.030 17.604 2.873 694 HA ARG 89 HA ARG 89 25.060 19.225 4.962 695 HB2 ARG 89 1HB ARG 89 24.691 19.225 1.983 696 HB3 ARG 89 2HB ARG 89 23.791 20.349 2.991 697 HG2 ARG 89 1HG ARG 89 26.792 20.118 2.934 698 HG3 ARG 89 2HG ARG 89 25.849 21.320 2.050 699 HD2 ARG 89 1HD ARG 89 26.109 20.994 5.031 700 HD3 ARG 89 2HD ARG 89 26.626 22.360 4.043 701 HE ARG 89 HE ARG 89 23.988 21.856 5.056 702 HH11 ARG 89 2HH1 ARG 89 25.831 23.423 2.553 703 HH12 ARG 89 1HH1 ARG 89 24.614 24.609 2.218 704 HH21 ARG 89 2HH2 ARG 89 22.377 23.412 4.624 705 HH22 ARG 89 1HH2 ARG 89 22.650 24.603 3.397 706 H VAL 90 H VAL 90 23.327 17.199 2.601 707 HA VAL 90 HA VAL 90 20.765 17.664 3.749 708 HB VAL 90 HB VAL 90 20.976 16.988 1.419 709 HG11 VAL 90 1HG1 VAL 90 21.707 14.814 0.744 710 HG12 VAL 90 2HG1 VAL 90 22.958 15.511 1.774 711 HG13 VAL 90 3HG1 VAL 90 21.863 14.288 2.420 712 HG21 VAL 90 3HG2 VAL 90 19.606 14.696 2.774 713 HG22 VAL 90 1HG2 VAL 90 18.984 16.339 2.935 714 HG23 VAL 90 2HG2 VAL 90 19.116 15.598 1.340 715 H PHE 91 H PHE 91 23.165 15.088 4.059 716 HA PHE 91 HA PHE 91 21.581 13.360 5.640 717 HB2 PHE 91 1HB PHE 91 23.620 12.636 4.436 718 HB3 PHE 91 2HB PHE 91 24.597 13.592 5.545 719 HD1 PHE 91 HD1 PHE 91 24.759 12.941 7.922 720 HD2 PHE 91 HD2 PHE 91 22.781 10.505 5.046 721 HE1 PHE 91 HE1 PHE 91 24.885 11.026 9.462 722 HE2 PHE 91 HE2 PHE 91 22.903 8.587 6.582 723 HZ PHE 91 HZ PHE 91 23.956 8.846 8.794 724 H LYS 92 H LYS 92 23.726 16.033 6.410 725 HA LYS 92 HA LYS 92 23.991 15.649 9.159 726 HB2 LYS 92 1HB LYS 92 25.329 17.291 7.994 727 HB3 LYS 92 2HB LYS 92 23.895 18.207 7.552 728 HG2 LYS 92 1HG LYS 92 23.523 18.858 9.815 729 HG3 LYS 92 2HG LYS 92 24.782 17.764 10.392 730 HD2 LYS 92 1HD LYS 92 26.495 19.102 9.579 731 HD3 LYS 92 2HD LYS 92 25.443 19.914 8.417 732 HE2 LYS 92 1HE LYS 92 24.482 21.269 10.055 733 HE3 LYS 92 2HE LYS 92 25.003 20.212 11.367 734 HZ1 LYS 92 3HZ LYS 92 26.562 22.194 9.853 735 HZ2 LYS 92 1HZ LYS 92 27.354 20.875 10.558 736 HZ3 LYS 92 2HZ LYS 92 26.476 21.950 11.525 737 H LYS 93 H LYS 93 21.511 17.430 7.347 738 HA LYS 93 HA LYS 93 20.046 18.154 9.701 739 HB2 LYS 93 1HB LYS 93 18.687 19.359 8.307 740 HB3 LYS 93 2HB LYS 93 20.109 19.232 7.281 741 HG2 LYS 93 1HG LYS 93 18.897 17.053 6.440 742 HG3 LYS 93 2HG LYS 93 17.467 17.897 7.039 743 HD2 LYS 93 1HD LYS 93 18.092 19.852 5.654 744 HD3 LYS 93 2HD LYS 93 19.444 18.924 5.003 745 HE2 LYS 93 1HE LYS 93 17.829 18.605 3.386 746 HE3 LYS 93 2HE LYS 93 17.608 17.181 4.402 747 HZ1 LYS 93 3HZ LYS 93 15.601 17.876 5.086 748 HZ2 LYS 93 1HZ LYS 93 15.628 18.810 3.676 749 HZ3 LYS 93 2HZ LYS 93 16.050 19.505 5.159 750 H CYS 94 H CYS 94 20.110 15.438 7.567 751 HA CYS 94 HA CYS 94 17.547 14.410 7.854 752 HB2 CYS 94 1HB CYS 94 19.368 13.529 6.353 753 HB3 CYS 94 2HB CYS 94 20.079 12.763 7.768 754 HG CYS 94 HG CYS 94 16.926 11.905 7.629 755 H THR 95 H THR 95 20.408 13.813 9.882 756 HA THR 95 HA THR 95 18.615 12.729 11.953 757 HB THR 95 HB THR 95 20.455 11.479 12.842 758 HG1 THR 95 HG1 THR 95 22.379 12.313 12.596 759 HG21 THR 95 3HG2 THR 95 19.277 10.646 10.748 760 HG22 THR 95 1HG2 THR 95 20.851 9.932 11.097 761 HG23 THR 95 2HG2 THR 95 20.703 11.176 9.856 762 H GLY 96 H GLY 96 20.437 15.410 11.129 763 HA2 GLY 96 1HA GLY 96 20.471 17.376 12.452 764 HA3 GLY 96 2HA GLY 96 20.309 16.381 13.891 765 H ALA 97 H ALA 97 22.536 14.752 12.263 766 HA ALA 97 HA ALA 97 24.804 16.442 13.039 767 HB1 ALA 97 1HB ALA 97 25.027 13.565 13.701 768 HB2 ALA 97 2HB ALA 97 25.708 14.974 14.515 769 HB3 ALA 97 3HB ALA 97 24.010 14.557 14.747 770 H SER 98 H SER 98 26.800 15.890 12.019 771 HA SER 98 HA SER 98 26.527 15.137 9.316 772 HB2 SER 98 1HB SER 98 29.230 14.873 9.879 773 HB3 SER 98 2HB SER 98 28.422 16.351 9.359 774 HG SER 98 HG SER 98 29.710 16.407 11.387 775 HA PRO 99 HA PRO 99 27.072 10.786 9.233 776 HB2 PRO 99 1HB PRO 99 28.775 10.420 7.151 777 HB3 PRO 99 2HB PRO 99 27.091 10.914 6.939 778 HG2 PRO 99 1HG PRO 99 29.572 12.589 6.923 779 HG3 PRO 99 2HG PRO 99 28.166 12.661 5.845 780 HD2 PRO 99 1HD PRO 99 28.513 14.385 7.904 781 HD3 PRO 99 2HD PRO 99 26.907 13.857 7.360 782 H SER 100 H SER 100 30.016 12.707 9.296 783 HA SER 100 HA SER 100 31.803 10.592 9.891 784 HB2 SER 100 1HB SER 100 33.214 12.571 10.824 785 HB3 SER 100 2HB SER 100 32.858 12.521 9.098 786 HG SER 100 HG SER 100 32.446 14.584 9.959 787 H GLU 101 H GLU 101 29.769 12.661 11.857 788 HA GLU 101 HA GLU 101 30.940 11.951 14.357 789 HB2 GLU 101 1HB GLU 101 29.383 13.967 13.691 790 HB3 GLU 101 2HB GLU 101 28.098 12.852 14.131 791 HG2 GLU 101 1HG GLU 101 30.232 14.037 15.854 792 HG3 GLU 101 2HG GLU 101 28.483 14.052 16.076 793 H PHE 102 H PHE 102 28.012 10.900 12.640 794 HA PHE 102 HA PHE 102 27.078 9.094 14.553 795 HB2 PHE 102 1HB PHE 102 25.800 9.876 12.556 796 HB3 PHE 102 2HB PHE 102 26.807 8.837 11.552 797 HD1 PHE 102 HD1 PHE 102 24.876 8.483 14.730 798 HD2 PHE 102 HD2 PHE 102 25.797 6.898 10.889 799 HE1 PHE 102 HE1 PHE 102 23.338 6.607 15.140 800 HE2 PHE 102 HE2 PHE 102 24.260 5.020 11.292 801 HZ PHE 102 HZ PHE 102 23.028 4.872 13.419 802 H ARG 103 H ARG 103 29.456 8.703 11.987 803 HA ARG 103 HA ARG 103 29.729 5.891 12.226 804 HB2 ARG 103 1HB ARG 103 31.443 8.057 11.038 805 HB3 ARG 103 2HB ARG 103 32.004 6.392 11.105 806 HG2 ARG 103 1HG ARG 103 29.335 6.994 9.920 807 HG3 ARG 103 2HG ARG 103 30.800 7.292 8.982 808 HD2 ARG 103 1HD ARG 103 30.253 5.124 8.382 809 HD3 ARG 103 2HD ARG 103 31.436 4.878 9.666 810 HE ARG 103 HE ARG 103 28.720 4.928 10.598 811 HH11 ARG 103 2HH1 ARG 103 31.250 2.945 9.262 812 HH12 ARG 103 1HH1 ARG 103 30.607 1.467 9.898 813 HH21 ARG 103 2HH2 ARG 103 27.863 2.989 11.441 814 HH22 ARG 103 1HH2 ARG 103 28.679 1.493 11.137 815 H ALA 104 H ALA 104 31.238 8.620 13.830 816 HA ALA 104 HA ALA 104 33.367 7.226 15.051 817 HB1 ALA 104 1HB ALA 104 32.340 9.873 15.055 818 HB2 ALA 104 2HB ALA 104 32.554 9.362 16.730 819 HB3 ALA 104 3HB ALA 104 33.914 9.300 15.609 820 H GLY 105 H GLY 105 30.005 7.706 15.943 821 HA2 GLY 105 1HA GLY 105 28.755 6.343 17.372 822 HA3 GLY 105 2HA GLY 105 30.246 5.597 17.926 823 H CYS 106 H CYS 106 30.414 8.972 17.929 824 HA CYS 106 HA CYS 106 30.596 9.067 20.774 825 HB2 CYS 106 1HB CYS 106 31.705 10.558 18.860 826 HB3 CYS 106 2HB CYS 106 30.307 11.573 19.191 827 HG CYS 106 HG CYS 106 31.775 12.859 20.893 828 H GLU 107 H GLU 107 29.013 9.327 22.195 829 HA GLU 107 HA GLU 107 26.442 10.401 21.243 830 HB2 GLU 107 1HB GLU 107 25.515 9.171 23.281 831 HB3 GLU 107 2HB GLU 107 26.054 8.186 21.929 832 HG2 GLU 107 1HG GLU 107 27.949 8.775 24.150 833 HG3 GLU 107 2HG GLU 107 26.696 7.556 24.375 Start of MODEL 18 1 H1 MET 1 H MET 1 1.871 -1.493 0.435 2 HA MET 1 HA MET 1 2.667 0.225 -1.781 3 HB2 MET 1 1HB MET 1 4.072 -1.519 -0.178 4 HB3 MET 1 2HB MET 1 3.861 -2.445 -1.658 5 HG2 MET 1 1HG MET 1 5.838 -1.379 -2.079 6 HG3 MET 1 2HG MET 1 4.688 -0.262 -2.810 7 HE1 MET 1 3HE MET 1 5.311 2.898 -1.493 8 HE2 MET 1 1HE MET 1 6.677 2.170 -2.340 9 HE3 MET 1 2HE MET 1 5.027 1.776 -2.824 10 H ASP 2 H ASP 2 1.568 0.122 -3.617 11 HA ASP 2 HA ASP 2 -0.069 -2.172 -4.256 12 HB2 ASP 2 1HB ASP 2 -0.760 0.221 -4.672 13 HB3 ASP 2 2HB ASP 2 0.437 0.269 -5.963 14 H ASN 3 H ASN 3 0.136 -3.487 -6.087 15 HA ASN 3 HA ASN 3 2.705 -4.349 -6.724 16 HB2 ASN 3 1HB ASN 3 1.589 -5.572 -8.618 17 HB3 ASN 3 2HB ASN 3 0.846 -5.832 -7.042 18 HD21 ASN 3 2HD2 ASN 3 0.312 -5.015 -10.229 19 HD22 ASN 3 1HD2 ASN 3 -1.298 -4.405 -10.080 20 H ARG 4 H ARG 4 0.514 -2.235 -8.547 21 HA ARG 4 HA ARG 4 2.126 -1.898 -10.812 22 HB2 ARG 4 1HB ARG 4 -0.342 -0.948 -9.933 23 HB3 ARG 4 2HB ARG 4 0.637 0.500 -10.123 24 HG2 ARG 4 1HG ARG 4 1.240 -0.586 -12.431 25 HG3 ARG 4 2HG ARG 4 -0.272 -1.458 -12.169 26 HD2 ARG 4 1HD ARG 4 0.081 1.538 -12.172 27 HD3 ARG 4 2HD ARG 4 -0.644 0.577 -13.460 28 HE ARG 4 HE ARG 4 -1.875 1.376 -10.984 29 HH11 ARG 4 2HH1 ARG 4 -1.918 -0.910 -13.609 30 HH12 ARG 4 1HH1 ARG 4 -3.587 -1.322 -13.395 31 HH21 ARG 4 2HH2 ARG 4 -4.073 0.842 -10.692 32 HH22 ARG 4 1HH2 ARG 4 -4.813 -0.324 -11.737 33 H VAL 5 H VAL 5 1.930 -0.001 -7.818 34 HA VAL 5 HA VAL 5 3.845 1.940 -8.574 35 HB VAL 5 HB VAL 5 3.017 1.062 -5.803 36 HG11 VAL 5 1HG1 VAL 5 3.823 3.785 -5.929 37 HG12 VAL 5 2HG1 VAL 5 4.538 2.465 -5.001 38 HG13 VAL 5 3HG1 VAL 5 5.098 2.797 -6.640 39 HG21 VAL 5 3HG2 VAL 5 2.055 3.622 -6.841 40 HG22 VAL 5 1HG2 VAL 5 1.449 2.218 -7.719 41 HG23 VAL 5 2HG2 VAL 5 1.190 2.349 -5.980 42 H ARG 6 H ARG 6 4.079 -1.148 -6.885 43 HA ARG 6 HA ARG 6 6.685 -0.996 -5.949 44 HB2 ARG 6 1HB ARG 6 4.713 -3.033 -6.325 45 HB3 ARG 6 2HB ARG 6 6.262 -3.641 -6.894 46 HG2 ARG 6 1HG ARG 6 6.857 -4.052 -4.806 47 HG3 ARG 6 2HG ARG 6 6.723 -2.332 -4.432 48 HD2 ARG 6 1HD ARG 6 4.559 -2.545 -3.630 49 HD3 ARG 6 2HD ARG 6 4.276 -4.048 -4.509 50 HE ARG 6 HE ARG 6 6.300 -4.228 -2.465 51 HH11 ARG 6 2HH1 ARG 6 2.908 -4.502 -3.200 52 HH12 ARG 6 1HH1 ARG 6 2.568 -5.542 -1.856 53 HH21 ARG 6 2HH2 ARG 6 5.864 -5.596 -0.693 54 HH22 ARG 6 1HH2 ARG 6 4.250 -6.163 -0.430 55 H GLU 7 H GLU 7 5.490 -1.686 -9.176 56 HA GLU 7 HA GLU 7 7.997 -2.537 -10.238 57 HB2 GLU 7 1HB GLU 7 5.318 -1.866 -11.335 58 HB3 GLU 7 2HB GLU 7 6.679 -1.784 -12.444 59 HG2 GLU 7 1HG GLU 7 5.847 -4.179 -10.824 60 HG3 GLU 7 2HG GLU 7 5.609 -3.950 -12.555 61 H ALA 8 H ALA 8 6.363 0.542 -9.912 62 HA ALA 8 HA ALA 8 8.074 2.001 -11.659 63 HB1 ALA 8 1HB ALA 8 6.053 3.060 -11.330 64 HB2 ALA 8 2HB ALA 8 6.047 2.740 -9.595 65 HB3 ALA 8 3HB ALA 8 7.115 3.976 -10.260 66 H CYS 9 H CYS 9 7.945 1.625 -8.126 67 HA CYS 9 HA CYS 9 10.166 3.283 -7.580 68 HB2 CYS 9 1HB CYS 9 10.048 2.464 -5.351 69 HB3 CYS 9 2HB CYS 9 8.391 2.523 -5.938 70 HG CYS 9 HG CYS 9 9.853 0.056 -4.520 71 H GLN 10 H GLN 10 9.858 -0.092 -8.429 72 HA GLN 10 HA GLN 10 12.421 -0.957 -7.649 73 HB2 GLN 10 1HB GLN 10 10.509 -2.445 -8.264 74 HB3 GLN 10 2HB GLN 10 10.763 -2.005 -9.947 75 HG2 GLN 10 1HG GLN 10 11.753 -4.184 -9.302 76 HG3 GLN 10 2HG GLN 10 12.911 -3.034 -9.971 77 HE21 GLN 10 2HE2 GLN 10 11.595 -4.143 -6.875 78 HE22 GLN 10 1HE2 GLN 10 13.079 -4.014 -6.000 79 H TYR 11 H TYR 11 11.212 0.433 -10.668 80 HA TYR 11 HA TYR 11 13.648 0.143 -12.101 81 HB2 TYR 11 1HB TYR 11 11.716 0.396 -13.425 82 HB3 TYR 11 2HB TYR 11 11.173 1.804 -12.519 83 HD1 TYR 11 HD2 TYR 11 14.234 0.814 -14.436 84 HD2 TYR 11 HD1 TYR 11 11.290 3.789 -13.671 85 HE1 TYR 11 HE2 TYR 11 15.297 2.285 -16.096 86 HE2 TYR 11 HE1 TYR 11 12.345 5.268 -15.330 87 HH TYR 11 HH TYR 11 15.426 4.705 -16.598 88 H ILE 12 H ILE 12 12.182 2.824 -10.305 89 HA ILE 12 HA ILE 12 14.138 4.755 -10.887 90 HB ILE 12 HB ILE 12 12.407 4.528 -8.421 91 HG12 ILE 12 1HG1 ILE 12 11.919 6.295 -10.808 92 HG13 ILE 12 2HG1 ILE 12 11.320 4.641 -10.761 93 HG21 ILE 12 1HG2 ILE 12 13.840 6.134 -7.723 94 HG22 ILE 12 2HG2 ILE 12 14.336 6.557 -9.361 95 HG23 ILE 12 3HG2 ILE 12 12.808 7.159 -8.720 96 HD11 ILE 12 3HD1 ILE 12 10.526 5.741 -8.341 97 HD12 ILE 12 1HD1 ILE 12 10.264 7.019 -9.528 98 HD13 ILE 12 2HD1 ILE 12 9.518 5.437 -9.755 99 H SER 13 H SER 13 13.923 2.317 -8.349 100 HA SER 13 HA SER 13 16.074 3.205 -6.774 101 HB2 SER 13 1HB SER 13 14.714 1.621 -5.727 102 HB3 SER 13 2HB SER 13 14.706 0.555 -7.132 103 HG SER 13 HG SER 13 16.735 -0.121 -6.640 104 H ASP 14 H ASP 14 15.940 0.916 -9.476 105 HA ASP 14 HA ASP 14 18.618 0.099 -9.414 106 HB2 ASP 14 1HB ASP 14 16.600 -0.798 -10.800 107 HB3 ASP 14 2HB ASP 14 17.117 0.386 -11.997 108 H HIS 15 H HIS 15 17.068 2.874 -10.931 109 HA HIS 15 HA HIS 15 19.635 3.763 -12.015 110 HB2 HIS 15 1HB HIS 15 16.789 4.641 -12.455 111 HB3 HIS 15 2HB HIS 15 18.149 5.617 -13.002 112 HD1 HIS 15 HD1 HIS 15 18.837 5.163 -15.326 113 HD2 HIS 15 HD2 HIS 15 17.022 1.855 -13.586 114 HE1 HIS 15 HE1 HIS 15 18.737 3.421 -17.136 115 H LEU 16 H LEU 16 18.670 3.806 -9.104 116 HA LEU 16 HA LEU 16 18.239 6.418 -8.247 117 HB2 LEU 16 1HB LEU 16 18.030 4.386 -6.848 118 HB3 LEU 16 2HB LEU 16 19.788 4.268 -6.809 119 HG LEU 16 HG LEU 16 19.805 6.523 -5.685 120 HD11 LEU 16 1HD1 LEU 16 16.849 5.988 -5.665 121 HD12 LEU 16 2HD1 LEU 16 17.701 7.426 -6.228 122 HD13 LEU 16 3HD1 LEU 16 17.629 7.062 -4.504 123 HD21 LEU 16 3HD2 LEU 16 18.960 5.559 -3.488 124 HD22 LEU 16 1HD2 LEU 16 20.222 4.654 -4.323 125 HD23 LEU 16 2HD2 LEU 16 18.546 4.112 -4.407 126 H ALA 17 H ALA 17 21.134 4.869 -9.351 127 HA ALA 17 HA ALA 17 22.898 6.899 -8.282 128 HB1 ALA 17 1HB ALA 17 24.370 5.495 -10.126 129 HB2 ALA 17 2HB ALA 17 24.238 5.117 -8.408 130 HB3 ALA 17 3HB ALA 17 23.193 4.304 -9.573 131 H ASP 18 H ASP 18 21.050 6.385 -11.130 132 HA ASP 18 HA ASP 18 22.581 7.872 -12.977 133 HB2 ASP 18 1HB ASP 18 20.507 6.308 -13.331 134 HB3 ASP 18 2HB ASP 18 19.588 7.795 -13.111 135 H SER 19 H SER 19 22.223 10.001 -13.784 136 HA SER 19 HA SER 19 21.440 11.862 -11.674 137 HB2 SER 19 1HB SER 19 22.835 12.395 -14.308 138 HB3 SER 19 2HB SER 19 22.595 13.562 -13.008 139 HG SER 19 HG SER 19 24.697 12.416 -13.118 140 H ASN 20 H ASN 20 20.862 11.367 -15.153 141 HA ASN 20 HA ASN 20 18.692 13.266 -15.171 142 HB2 ASN 20 1HB ASN 20 19.422 11.306 -17.350 143 HB3 ASN 20 2HB ASN 20 18.526 12.813 -17.516 144 HD21 ASN 20 2HD2 ASN 20 19.815 14.757 -16.619 145 HD22 ASN 20 1HD2 ASN 20 21.456 14.854 -17.151 146 H PHE 21 H PHE 21 16.855 12.715 -14.187 147 HA PHE 21 HA PHE 21 15.837 9.977 -14.552 148 HB2 PHE 21 1HB PHE 21 16.210 10.526 -12.214 149 HB3 PHE 21 2HB PHE 21 15.251 11.993 -12.375 150 HD1 PHE 21 HD1 PHE 21 14.636 8.493 -13.495 151 HD2 PHE 21 HD2 PHE 21 13.363 11.761 -11.083 152 HE1 PHE 21 HE1 PHE 21 12.617 7.236 -12.864 153 HE2 PHE 21 HE2 PHE 21 11.342 10.509 -10.448 154 HZ PHE 21 HZ PHE 21 10.968 8.243 -11.338 155 H ASP 22 H ASP 22 13.953 9.657 -15.572 156 HA ASP 22 HA ASP 22 12.380 12.038 -16.308 157 HB2 ASP 22 1HB ASP 22 13.624 10.721 -18.145 158 HB3 ASP 22 2HB ASP 22 12.402 9.478 -17.891 159 H ILE 23 H ILE 23 10.710 12.079 -14.923 160 HA ILE 23 HA ILE 23 9.529 9.902 -13.651 161 HB ILE 23 HB ILE 23 9.223 12.290 -12.996 162 HG12 ILE 23 1HG1 ILE 23 6.717 12.016 -12.490 163 HG13 ILE 23 2HG1 ILE 23 6.836 10.485 -13.350 164 HG21 ILE 23 1HG2 ILE 23 6.968 12.518 -14.921 165 HG22 ILE 23 2HG2 ILE 23 7.943 13.779 -14.167 166 HG23 ILE 23 3HG2 ILE 23 8.604 12.831 -15.499 167 HD11 ILE 23 3HD1 ILE 23 8.688 9.881 -11.745 168 HD12 ILE 23 1HD1 ILE 23 8.205 11.295 -10.808 169 HD13 ILE 23 2HD1 ILE 23 7.062 9.978 -11.069 170 H ALA 24 H ALA 24 8.975 11.250 -16.820 171 HA ALA 24 HA ALA 24 6.468 10.119 -17.375 172 HB1 ALA 24 1HB ALA 24 7.316 11.825 -18.805 173 HB2 ALA 24 2HB ALA 24 8.743 10.867 -19.201 174 HB3 ALA 24 3HB ALA 24 7.154 10.358 -19.771 175 H SER 25 H SER 25 9.747 8.853 -17.806 176 HA SER 25 HA SER 25 9.041 6.492 -19.160 177 HB2 SER 25 1HB SER 25 11.417 7.131 -17.400 178 HB3 SER 25 2HB SER 25 11.271 5.653 -18.351 179 HG SER 25 HG SER 25 11.406 6.812 -20.197 180 H VAL 26 H VAL 26 9.176 7.303 -15.749 181 HA VAL 26 HA VAL 26 8.934 4.668 -14.742 182 HB VAL 26 HB VAL 26 8.126 7.283 -13.463 183 HG11 VAL 26 1HG1 VAL 26 7.017 5.400 -12.398 184 HG12 VAL 26 2HG1 VAL 26 8.562 4.563 -12.233 185 HG13 VAL 26 3HG1 VAL 26 8.268 6.057 -11.342 186 HG21 VAL 26 3HG2 VAL 26 10.372 6.535 -12.190 187 HG22 VAL 26 1HG2 VAL 26 10.697 5.873 -13.792 188 HG23 VAL 26 2HG2 VAL 26 10.362 7.593 -13.600 189 H ALA 27 H ALA 27 6.550 7.196 -15.453 190 HA ALA 27 HA ALA 27 4.297 5.744 -14.543 191 HB1 ALA 27 1HB ALA 27 4.763 8.312 -15.441 192 HB2 ALA 27 2HB ALA 27 3.713 7.622 -16.680 193 HB3 ALA 27 3HB ALA 27 3.199 7.631 -14.993 194 H GLN 28 H GLN 28 5.768 6.138 -17.746 195 HA GLN 28 HA GLN 28 3.838 4.707 -19.200 196 HB2 GLN 28 1HB GLN 28 5.399 6.088 -20.376 197 HB3 GLN 28 2HB GLN 28 6.769 5.205 -19.715 198 HG2 GLN 28 1HG GLN 28 6.311 3.308 -21.043 199 HG3 GLN 28 2HG GLN 28 4.723 3.924 -21.500 200 HE21 GLN 28 2HE2 GLN 28 4.598 5.660 -22.973 201 HE22 GLN 28 1HE2 GLN 28 5.900 6.012 -24.052 202 H HIS 29 H HIS 29 6.704 3.667 -17.443 203 HA HIS 29 HA HIS 29 6.874 1.040 -18.368 204 HB2 HIS 29 1HB HIS 29 8.673 1.893 -17.064 205 HB3 HIS 29 2HB HIS 29 7.607 2.281 -15.717 206 HD1 HIS 29 HD1 HIS 29 7.705 -1.045 -17.509 207 HD2 HIS 29 HD2 HIS 29 8.709 0.618 -13.837 208 HE1 HIS 29 HE1 HIS 29 8.322 -2.988 -16.037 209 H VAL 30 H VAL 30 4.803 2.486 -15.932 210 HA VAL 30 HA VAL 30 3.665 -0.128 -15.267 211 HB VAL 30 HB VAL 30 2.462 1.024 -13.482 212 HG11 VAL 30 1HG1 VAL 30 4.497 1.892 -12.220 213 HG12 VAL 30 2HG1 VAL 30 4.573 0.232 -12.816 214 HG13 VAL 30 3HG1 VAL 30 5.419 1.519 -13.676 215 HG21 VAL 30 3HG2 VAL 30 3.847 3.537 -14.413 216 HG22 VAL 30 1HG2 VAL 30 2.145 3.163 -14.691 217 HG23 VAL 30 2HG2 VAL 30 2.744 3.379 -13.046 218 H CYS 31 H CYS 31 3.257 1.581 -17.800 219 HA CYS 31 HA CYS 31 1.572 2.134 -19.231 220 HB2 CYS 31 1HB CYS 31 1.232 -0.391 -18.702 221 HB3 CYS 31 2HB CYS 31 -0.171 0.157 -17.793 222 HG CYS 31 HG CYS 31 -1.715 0.778 -19.821 223 H LEU 32 H LEU 32 1.744 3.790 -16.962 224 HA LEU 32 HA LEU 32 -1.028 4.713 -16.824 225 HB2 LEU 32 1HB LEU 32 0.116 3.383 -14.719 226 HB3 LEU 32 2HB LEU 32 0.433 5.070 -14.317 227 HG LEU 32 HG LEU 32 -2.338 4.475 -15.109 228 HD11 LEU 32 1HD1 LEU 32 -1.879 2.448 -13.874 229 HD12 LEU 32 2HD1 LEU 32 -2.900 3.517 -12.913 230 HD13 LEU 32 3HD1 LEU 32 -1.180 3.381 -12.550 231 HD21 LEU 32 3HD2 LEU 32 -2.512 5.768 -12.800 232 HD22 LEU 32 1HD2 LEU 32 -2.157 6.600 -14.314 233 HD23 LEU 32 2HD2 LEU 32 -0.848 6.194 -13.204 234 H SER 33 H SER 33 -1.178 6.967 -15.996 235 HA SER 33 HA SER 33 0.893 8.568 -17.225 236 HB2 SER 33 1HB SER 33 -1.240 9.980 -15.774 237 HB3 SER 33 2HB SER 33 -0.703 10.157 -17.444 238 HG SER 33 HG SER 33 -2.902 9.241 -16.989 239 HA PRO 34 HA PRO 34 3.092 9.826 -13.645 240 HB2 PRO 34 1HB PRO 34 3.557 12.455 -14.138 241 HB3 PRO 34 2HB PRO 34 4.372 11.155 -15.014 242 HG2 PRO 34 1HG PRO 34 2.013 12.805 -15.836 243 HG3 PRO 34 2HG PRO 34 3.421 12.310 -16.794 244 HD2 PRO 34 1HD PRO 34 1.028 11.055 -16.965 245 HD3 PRO 34 2HD PRO 34 2.570 10.204 -17.188 246 H SER 35 H SER 35 0.397 11.939 -14.546 247 HA SER 35 HA SER 35 0.191 13.263 -12.053 248 HB2 SER 35 1HB SER 35 -0.816 13.974 -14.299 249 HB3 SER 35 2HB SER 35 -2.106 12.820 -13.959 250 HG SER 35 HG SER 35 -1.375 14.793 -12.080 251 H ARG 36 H ARG 36 -1.531 10.481 -13.433 252 HA ARG 36 HA ARG 36 -3.142 10.051 -11.118 253 HB2 ARG 36 1HB ARG 36 -2.541 8.442 -13.584 254 HB3 ARG 36 2HB ARG 36 -3.467 7.749 -12.259 255 HG2 ARG 36 1HG ARG 36 -4.599 10.268 -12.809 256 HG3 ARG 36 2HG ARG 36 -4.339 9.467 -14.360 257 HD2 ARG 36 1HD ARG 36 -5.356 7.420 -12.944 258 HD3 ARG 36 2HD ARG 36 -6.152 8.769 -12.135 259 HE ARG 36 HE ARG 36 -6.734 7.752 -14.727 260 HH11 ARG 36 2HH1 ARG 36 -6.638 10.677 -12.841 261 HH12 ARG 36 1HH1 ARG 36 -7.845 11.482 -13.788 262 HH21 ARG 36 2HH2 ARG 36 -8.324 8.802 -15.982 263 HH22 ARG 36 1HH2 ARG 36 -8.804 10.414 -15.574 264 H LEU 37 H LEU 37 -0.195 8.542 -12.389 265 HA LEU 37 HA LEU 37 0.075 6.541 -10.452 266 HB2 LEU 37 1HB LEU 37 1.400 6.387 -12.394 267 HB3 LEU 37 2HB LEU 37 2.067 8.001 -12.160 268 HG LEU 37 HG LEU 37 3.223 7.081 -10.102 269 HD11 LEU 37 1HD1 LEU 37 3.531 4.683 -9.970 270 HD12 LEU 37 2HD1 LEU 37 2.478 4.446 -11.365 271 HD13 LEU 37 3HD1 LEU 37 1.816 5.080 -9.859 272 HD21 LEU 37 3HD2 LEU 37 4.444 5.490 -12.167 273 HD22 LEU 37 1HD2 LEU 37 5.009 6.984 -11.417 274 HD23 LEU 37 2HD2 LEU 37 3.925 7.050 -12.807 275 H SER 38 H SER 38 1.304 9.866 -10.522 276 HA SER 38 HA SER 38 2.808 9.770 -8.165 277 HB2 SER 38 1HB SER 38 2.865 11.616 -9.856 278 HB3 SER 38 2HB SER 38 1.310 12.171 -9.238 279 HG SER 38 HG SER 38 3.689 11.918 -7.708 280 H HIS 39 H HIS 39 -0.618 10.365 -8.705 281 HA HIS 39 HA HIS 39 -1.309 11.260 -6.145 282 HB2 HIS 39 1HB HIS 39 -2.823 11.393 -8.081 283 HB3 HIS 39 2HB HIS 39 -2.980 9.639 -8.078 284 HD1 HIS 39 HD1 HIS 39 -4.536 12.627 -6.786 285 HD2 HIS 39 HD2 HIS 39 -4.216 8.669 -5.566 286 HE1 HIS 39 HE1 HIS 39 -6.364 12.297 -5.091 287 H LEU 40 H LEU 40 -1.362 7.965 -7.490 288 HA LEU 40 HA LEU 40 -2.126 6.755 -5.022 289 HB2 LEU 40 1HB LEU 40 -0.751 5.339 -7.281 290 HB3 LEU 40 2HB LEU 40 -1.913 4.693 -6.124 291 HG LEU 40 HG LEU 40 -2.584 6.683 -8.290 292 HD11 LEU 40 1HD1 LEU 40 -3.751 4.064 -8.576 293 HD12 LEU 40 2HD1 LEU 40 -1.989 3.977 -8.586 294 HD13 LEU 40 3HD1 LEU 40 -2.827 5.018 -9.737 295 HD21 LEU 40 3HD2 LEU 40 -4.053 5.482 -6.043 296 HD22 LEU 40 1HD2 LEU 40 -4.889 5.454 -7.596 297 HD23 LEU 40 2HD2 LEU 40 -4.341 6.987 -6.918 298 H PHE 41 H PHE 41 0.918 7.480 -6.584 299 HA PHE 41 HA PHE 41 2.627 5.828 -5.130 300 HB2 PHE 41 1HB PHE 41 2.946 7.738 -7.075 301 HB3 PHE 41 2HB PHE 41 3.703 8.504 -5.682 302 HD1 PHE 41 HD1 PHE 41 3.855 5.701 -8.027 303 HD2 PHE 41 HD2 PHE 41 5.720 7.614 -4.713 304 HE1 PHE 41 HE1 PHE 41 5.888 4.368 -8.406 305 HE2 PHE 41 HE2 PHE 41 7.756 6.285 -5.087 306 HZ PHE 41 HZ PHE 41 7.842 4.660 -6.936 307 H ARG 42 H ARG 42 1.576 9.152 -4.429 308 HA ARG 42 HA ARG 42 3.000 9.357 -1.984 309 HB2 ARG 42 1HB ARG 42 2.313 11.350 -3.175 310 HB3 ARG 42 2HB ARG 42 0.620 10.897 -3.031 311 HG2 ARG 42 1HG ARG 42 1.971 11.058 -0.459 312 HG3 ARG 42 2HG ARG 42 1.992 12.579 -1.354 313 HD2 ARG 42 1HD ARG 42 -0.566 11.875 -1.734 314 HD3 ARG 42 2HD ARG 42 -0.277 11.087 -0.184 315 HE ARG 42 HE ARG 42 0.680 13.697 0.001 316 HH11 ARG 42 2HH1 ARG 42 -2.353 12.042 -0.425 317 HH12 ARG 42 1HH1 ARG 42 -3.288 13.283 0.342 318 HH21 ARG 42 2HH2 ARG 42 -0.539 15.337 1.014 319 HH22 ARG 42 1HH2 ARG 42 -2.255 15.157 1.160 320 H GLN 43 H GLN 43 -0.050 7.980 -2.862 321 HA GLN 43 HA GLN 43 -1.138 7.966 -0.202 322 HB2 GLN 43 1HB GLN 43 -2.317 7.814 -2.581 323 HB3 GLN 43 2HB GLN 43 -2.128 6.089 -2.294 324 HG2 GLN 43 1HG GLN 43 -3.403 7.912 -0.282 325 HG3 GLN 43 2HG GLN 43 -4.317 7.157 -1.586 326 HE21 GLN 43 2HE2 GLN 43 -3.701 6.883 1.547 327 HE22 GLN 43 1HE2 GLN 43 -3.802 5.170 1.753 328 H GLN 44 H GLN 44 0.505 5.647 -2.300 329 HA GLN 44 HA GLN 44 0.307 3.523 -0.357 330 HB2 GLN 44 1HB GLN 44 1.897 3.689 -2.923 331 HB3 GLN 44 2HB GLN 44 1.667 2.237 -1.957 332 HG2 GLN 44 1HG GLN 44 -0.582 3.786 -3.216 333 HG3 GLN 44 2HG GLN 44 0.210 2.404 -3.970 334 HE21 GLN 44 2HE2 GLN 44 -2.462 2.334 -3.533 335 HE22 GLN 44 1HE2 GLN 44 -2.834 1.212 -2.273 336 H LEU 45 H LEU 45 2.780 5.754 -1.522 337 HA LEU 45 HA LEU 45 4.774 4.628 0.266 338 HB2 LEU 45 1HB LEU 45 4.871 5.974 -2.160 339 HB3 LEU 45 2HB LEU 45 5.481 7.143 -0.991 340 HG LEU 45 HG LEU 45 6.600 4.366 -1.084 341 HD11 LEU 45 1HD1 LEU 45 7.282 6.667 -2.898 342 HD12 LEU 45 2HD1 LEU 45 6.814 5.028 -3.349 343 HD13 LEU 45 3HD1 LEU 45 8.377 5.320 -2.587 344 HD21 LEU 45 3HD2 LEU 45 7.014 6.334 0.664 345 HD22 LEU 45 1HD2 LEU 45 8.195 6.806 -0.558 346 HD23 LEU 45 2HD2 LEU 45 8.284 5.208 0.184 347 H GLY 46 H GLY 46 2.401 7.081 0.302 348 HA2 GLY 46 1HA GLY 46 1.773 8.531 1.975 349 HA3 GLY 46 2HA GLY 46 2.985 7.776 2.999 350 H ILE 47 H ILE 47 4.425 8.782 0.168 351 HA ILE 47 HA ILE 47 4.924 11.511 1.058 352 HB ILE 47 HB ILE 47 7.313 11.308 1.097 353 HG12 ILE 47 1HG1 ILE 47 6.883 8.392 0.416 354 HG13 ILE 47 2HG1 ILE 47 7.580 9.612 -0.644 355 HG21 ILE 47 1HG2 ILE 47 6.136 10.805 3.177 356 HG22 ILE 47 2HG2 ILE 47 6.076 9.099 2.735 357 HG23 ILE 47 3HG2 ILE 47 7.629 9.875 3.048 358 HD11 ILE 47 3HD1 ILE 47 9.455 9.868 0.911 359 HD12 ILE 47 1HD1 ILE 47 8.762 8.611 1.935 360 HD13 ILE 47 2HD1 ILE 47 9.308 8.219 0.304 361 H SER 48 H SER 48 6.569 12.559 -0.539 362 HA SER 48 HA SER 48 5.446 12.263 -3.159 363 HB2 SER 48 1HB SER 48 7.302 14.022 -3.681 364 HB3 SER 48 2HB SER 48 5.945 14.485 -2.655 365 HG SER 48 HG SER 48 8.310 14.878 -1.990 366 H VAL 49 H VAL 49 6.369 11.454 -4.995 367 HA VAL 49 HA VAL 49 8.105 9.310 -4.848 368 HB VAL 49 HB VAL 49 6.729 9.599 -6.793 369 HG11 VAL 49 1HG1 VAL 49 6.818 12.100 -6.766 370 HG12 VAL 49 2HG1 VAL 49 8.397 11.992 -7.547 371 HG13 VAL 49 3HG1 VAL 49 6.961 11.377 -8.367 372 HG21 VAL 49 3HG2 VAL 49 9.262 8.716 -6.880 373 HG22 VAL 49 1HG2 VAL 49 8.185 8.706 -8.276 374 HG23 VAL 49 2HG2 VAL 49 9.358 10.008 -8.077 375 H LEU 50 H LEU 50 8.836 12.696 -5.597 376 HA LEU 50 HA LEU 50 11.569 12.333 -6.170 377 HB2 LEU 50 1HB LEU 50 10.164 14.763 -5.070 378 HB3 LEU 50 2HB LEU 50 11.773 14.745 -5.790 379 HG LEU 50 HG LEU 50 9.173 14.181 -7.214 380 HD11 LEU 50 1HD1 LEU 50 9.344 16.508 -6.793 381 HD12 LEU 50 2HD1 LEU 50 9.835 16.256 -8.468 382 HD13 LEU 50 3HD1 LEU 50 11.054 16.529 -7.223 383 HD21 LEU 50 3HD2 LEU 50 10.893 14.458 -9.199 384 HD22 LEU 50 1HD2 LEU 50 10.613 12.895 -8.432 385 HD23 LEU 50 2HD2 LEU 50 12.025 13.854 -7.989 386 H SER 51 H SER 51 9.815 12.749 -3.171 387 HA SER 51 HA SER 51 12.111 13.259 -1.552 388 HB2 SER 51 1HB SER 51 9.987 14.005 -0.733 389 HB3 SER 51 2HB SER 51 9.295 12.390 -0.879 390 HG SER 51 HG SER 51 11.368 13.180 0.894 391 H TRP 52 H TRP 52 10.178 10.382 -2.280 392 HA TRP 52 HA TRP 52 11.412 8.591 -0.540 393 HB2 TRP 52 1HB TRP 52 9.394 7.954 -1.673 394 HB3 TRP 52 2HB TRP 52 10.153 8.145 -3.250 395 HD1 TRP 52 HD1 TRP 52 10.235 5.808 -0.183 396 HE1 TRP 52 HE1 TRP 52 11.100 3.508 -0.948 397 HE3 TRP 52 HE3 TRP 52 11.435 6.960 -5.017 398 HZ2 TRP 52 HZ2 TRP 52 12.154 2.337 -3.291 399 HZ3 TRP 52 HZ3 TRP 52 12.368 5.193 -6.454 400 HH2 TRP 52 HH2 TRP 52 12.719 2.930 -5.606 401 H ARG 53 H ARG 53 12.323 9.593 -3.804 402 HA ARG 53 HA ARG 53 14.376 7.757 -4.256 403 HB2 ARG 53 1HB ARG 53 13.483 9.212 -6.009 404 HB3 ARG 53 2HB ARG 53 14.157 10.621 -5.200 405 HG2 ARG 53 1HG ARG 53 16.352 9.015 -5.505 406 HG3 ARG 53 2HG ARG 53 15.427 8.688 -6.972 407 HD2 ARG 53 1HD ARG 53 16.992 10.539 -7.293 408 HD3 ARG 53 2HD ARG 53 15.319 11.072 -7.452 409 HE ARG 53 HE ARG 53 16.400 11.416 -4.810 410 HH11 ARG 53 2HH1 ARG 53 16.057 12.827 -7.974 411 HH12 ARG 53 1HH1 ARG 53 16.262 14.454 -7.414 412 HH21 ARG 53 2HH2 ARG 53 16.672 13.553 -4.060 413 HH22 ARG 53 1HH2 ARG 53 16.613 14.865 -5.188 414 H GLU 54 H GLU 54 14.499 10.984 -2.773 415 HA GLU 54 HA GLU 54 17.287 10.976 -2.305 416 HB2 GLU 54 1HB GLU 54 15.968 13.039 -2.319 417 HB3 GLU 54 2HB GLU 54 15.096 12.504 -0.890 418 HG2 GLU 54 1HG GLU 54 17.029 12.690 0.468 419 HG3 GLU 54 2HG GLU 54 18.070 12.919 -0.936 420 H ASP 55 H ASP 55 14.523 9.932 -0.388 421 HA ASP 55 HA ASP 55 15.938 9.465 2.018 422 HB2 ASP 55 1HB ASP 55 13.351 9.579 1.501 423 HB3 ASP 55 2HB ASP 55 13.534 7.839 1.302 424 H GLN 56 H GLN 56 15.266 7.478 -0.807 425 HA GLN 56 HA GLN 56 16.163 5.025 0.278 426 HB2 GLN 56 1HB GLN 56 15.497 6.069 -2.406 427 HB3 GLN 56 2HB GLN 56 16.601 4.700 -2.372 428 HG2 GLN 56 1HG GLN 56 13.856 4.801 -1.141 429 HG3 GLN 56 2HG GLN 56 14.308 3.962 -2.624 430 HE21 GLN 56 2HE2 GLN 56 13.495 3.389 0.402 431 HE22 GLN 56 1HE2 GLN 56 14.448 1.991 0.749 432 H ARG 57 H ARG 57 17.778 7.519 -1.658 433 HA ARG 57 HA ARG 57 20.270 6.149 -1.787 434 HB2 ARG 57 1HB ARG 57 21.157 8.327 -2.579 435 HB3 ARG 57 2HB ARG 57 19.725 7.807 -3.457 436 HG2 ARG 57 1HG ARG 57 18.362 9.319 -2.059 437 HG3 ARG 57 2HG ARG 57 19.843 9.887 -1.285 438 HD2 ARG 57 1HD ARG 57 20.582 10.307 -3.778 439 HD3 ARG 57 2HD ARG 57 18.840 10.348 -4.051 440 HE ARG 57 HE ARG 57 19.624 12.011 -1.870 441 HH11 ARG 57 2HH1 ARG 57 19.446 11.837 -5.343 442 HH12 ARG 57 1HH1 ARG 57 19.350 13.554 -5.554 443 HH21 ARG 57 2HH2 ARG 57 19.498 14.273 -2.135 444 HH22 ARG 57 1HH2 ARG 57 19.381 14.938 -3.729 445 H ILE 58 H ILE 58 18.973 8.705 0.290 446 HA ILE 58 HA ILE 58 21.360 9.169 1.737 447 HB ILE 58 HB ILE 58 18.472 9.709 2.405 448 HG12 ILE 58 1HG1 ILE 58 19.556 11.014 0.572 449 HG13 ILE 58 2HG1 ILE 58 19.035 12.008 1.928 450 HG21 ILE 58 1HG2 ILE 58 19.174 9.728 4.547 451 HG22 ILE 58 2HG2 ILE 58 20.872 9.890 4.100 452 HG23 ILE 58 3HG2 ILE 58 19.823 11.307 4.106 453 HD11 ILE 58 3HD1 ILE 58 21.516 12.025 0.739 454 HD12 ILE 58 1HD1 ILE 58 21.098 12.731 2.300 455 HD13 ILE 58 2HD1 ILE 58 21.770 11.102 2.220 456 H SER 59 H SER 59 18.594 7.035 2.274 457 HA SER 59 HA SER 59 19.435 6.130 4.835 458 HB2 SER 59 1HB SER 59 17.085 5.993 3.944 459 HB3 SER 59 2HB SER 59 17.622 4.683 2.893 460 HG SER 59 HG SER 59 16.948 4.604 5.499 461 H GLN 60 H GLN 60 20.033 5.081 1.547 462 HA GLN 60 HA GLN 60 21.183 2.566 2.227 463 HB2 GLN 60 1HB GLN 60 20.236 3.259 -0.032 464 HB3 GLN 60 2HB GLN 60 21.734 4.148 -0.280 465 HG2 GLN 60 1HG GLN 60 21.761 1.950 -1.353 466 HG3 GLN 60 2HG GLN 60 23.016 2.113 -0.127 467 HE21 GLN 60 2HE2 GLN 60 22.929 0.872 1.709 468 HE22 GLN 60 1HE2 GLN 60 21.828 -0.445 1.906 469 H ALA 61 H ALA 61 22.474 5.798 1.655 470 HA ALA 61 HA ALA 61 25.206 5.107 1.666 471 HB1 ALA 61 1HB ALA 61 23.988 7.329 1.012 472 HB2 ALA 61 2HB ALA 61 24.294 7.752 2.697 473 HB3 ALA 61 3HB ALA 61 25.640 7.363 1.627 474 H LYS 62 H LYS 62 23.054 6.228 4.263 475 HA LYS 62 HA LYS 62 25.065 6.129 6.280 476 HB2 LYS 62 1HB LYS 62 23.187 6.417 7.853 477 HB3 LYS 62 2HB LYS 62 23.129 7.577 6.533 478 HG2 LYS 62 1HG LYS 62 21.488 6.034 5.404 479 HG3 LYS 62 2HG LYS 62 21.423 5.134 6.921 480 HD2 LYS 62 1HD LYS 62 20.797 8.071 6.609 481 HD3 LYS 62 2HD LYS 62 19.597 6.780 6.716 482 HE2 LYS 62 1HE LYS 62 21.627 7.496 8.831 483 HE3 LYS 62 2HE LYS 62 19.910 7.894 8.870 484 HZ1 LYS 62 3HZ LYS 62 21.239 5.352 9.366 485 HZ2 LYS 62 1HZ LYS 62 19.766 5.276 8.536 486 HZ3 LYS 62 2HZ LYS 62 19.840 5.997 10.064 487 H LEU 63 H LEU 63 22.694 3.865 5.047 488 HA LEU 63 HA LEU 63 22.883 1.974 7.149 489 HB2 LEU 63 1HB LEU 63 21.019 2.038 5.563 490 HB3 LEU 63 2HB LEU 63 22.113 1.574 4.261 491 HG LEU 63 HG LEU 63 20.577 -0.217 5.295 492 HD11 LEU 63 1HD1 LEU 63 23.105 -0.293 4.099 493 HD12 LEU 63 2HD1 LEU 63 21.920 -1.595 4.193 494 HD13 LEU 63 3HD1 LEU 63 23.168 -1.448 5.430 495 HD21 LEU 63 3HD2 LEU 63 21.121 0.369 7.639 496 HD22 LEU 63 1HD2 LEU 63 22.767 -0.203 7.367 497 HD23 LEU 63 2HD2 LEU 63 21.414 -1.329 7.259 498 H LEU 64 H LEU 64 24.406 2.122 3.936 499 HA LEU 64 HA LEU 64 25.989 -0.206 4.328 500 HB2 LEU 64 1HB LEU 64 27.002 0.303 2.269 501 HB3 LEU 64 2HB LEU 64 25.324 0.823 2.124 502 HG LEU 64 HG LEU 64 26.391 3.151 2.845 503 HD11 LEU 64 1HD1 LEU 64 28.663 1.471 2.091 504 HD12 LEU 64 2HD1 LEU 64 28.618 2.986 2.992 505 HD13 LEU 64 3HD1 LEU 64 28.580 3.007 1.229 506 HD21 LEU 64 3HD2 LEU 64 26.279 3.797 0.583 507 HD22 LEU 64 1HD2 LEU 64 25.115 2.483 0.755 508 HD23 LEU 64 2HD2 LEU 64 26.687 2.178 0.016 509 H LEU 65 H LEU 65 26.540 3.241 4.799 510 HA LEU 65 HA LEU 65 29.286 3.248 5.193 511 HB2 LEU 65 1HB LEU 65 27.027 4.942 6.089 512 HB3 LEU 65 2HB LEU 65 28.560 5.137 6.935 513 HG LEU 65 HG LEU 65 28.437 5.300 3.946 514 HD11 LEU 65 1HD1 LEU 65 28.451 7.905 4.789 515 HD12 LEU 65 2HD1 LEU 65 27.266 7.161 5.863 516 HD13 LEU 65 3HD1 LEU 65 27.062 7.051 4.114 517 HD21 LEU 65 3HD2 LEU 65 30.299 6.183 6.117 518 HD22 LEU 65 1HD2 LEU 65 30.319 6.969 4.538 519 HD23 LEU 65 2HD2 LEU 65 30.641 5.240 4.666 520 H SER 66 H SER 66 26.729 2.150 7.283 521 HA SER 66 HA SER 66 28.294 2.069 9.674 522 HB2 SER 66 1HB SER 66 25.697 2.088 9.389 523 HB3 SER 66 2HB SER 66 25.878 0.341 9.233 524 HG SER 66 HG SER 66 25.541 1.321 11.430 525 H THR 67 H THR 67 27.592 -0.167 7.069 526 HA THR 67 HA THR 67 29.083 -2.294 8.425 527 HB THR 67 HB THR 67 26.954 -2.972 7.459 528 HG1 THR 67 HG1 THR 67 28.003 -4.507 5.795 529 HG21 THR 67 3HG2 THR 67 27.006 -3.035 4.821 530 HG22 THR 67 1HG2 THR 67 28.066 -1.643 5.033 531 HG23 THR 67 2HG2 THR 67 26.427 -1.611 5.685 532 H THR 68 H THR 68 29.939 0.269 6.740 533 HA THR 68 HA THR 68 32.145 -1.138 5.398 534 HB THR 68 HB THR 68 32.085 0.381 3.519 535 HG1 THR 68 HG1 THR 68 31.141 2.247 3.790 536 HG21 THR 68 3HG2 THR 68 30.077 -1.516 4.094 537 HG22 THR 68 1HG2 THR 68 30.629 -0.971 2.511 538 HG23 THR 68 2HG2 THR 68 29.280 -0.156 3.304 539 H ARG 69 H ARG 69 34.037 0.264 5.001 540 HA ARG 69 HA ARG 69 34.242 2.410 7.010 541 HB2 ARG 69 1HB ARG 69 36.700 1.726 7.132 542 HB3 ARG 69 2HB ARG 69 35.534 0.651 7.892 543 HG2 ARG 69 1HG ARG 69 36.297 0.112 5.074 544 HG3 ARG 69 2HG ARG 69 37.466 -0.256 6.344 545 HD2 ARG 69 1HD ARG 69 36.194 -1.929 7.221 546 HD3 ARG 69 2HD ARG 69 34.675 -1.164 6.756 547 HE ARG 69 HE ARG 69 35.978 -1.960 4.424 548 HH11 ARG 69 2HH1 ARG 69 34.519 -3.398 7.239 549 HH12 ARG 69 1HH1 ARG 69 34.066 -4.857 6.420 550 HH21 ARG 69 2HH2 ARG 69 35.387 -3.875 3.335 551 HH22 ARG 69 1HH2 ARG 69 34.561 -5.127 4.200 552 H MET 70 H MET 70 33.753 2.272 3.988 553 HA MET 70 HA MET 70 36.046 3.407 2.744 554 HB2 MET 70 1HB MET 70 33.136 3.328 1.947 555 HB3 MET 70 2HB MET 70 34.392 4.027 0.934 556 HG2 MET 70 1HG MET 70 35.552 1.819 0.983 557 HG3 MET 70 2HG MET 70 34.142 1.164 1.814 558 HE1 MET 70 3HE MET 70 31.661 0.611 0.263 559 HE2 MET 70 1HE MET 70 31.823 2.254 0.886 560 HE3 MET 70 2HE MET 70 31.346 1.990 -0.792 561 HA PRO 71 HA PRO 71 35.770 7.644 3.854 562 HB2 PRO 71 1HB PRO 71 36.605 8.854 1.572 563 HB3 PRO 71 2HB PRO 71 37.696 7.968 2.643 564 HG2 PRO 71 1HG PRO 71 36.401 7.073 0.097 565 HG3 PRO 71 2HG PRO 71 38.067 6.826 0.652 566 HD2 PRO 71 1HD PRO 71 36.170 4.902 0.834 567 HD3 PRO 71 2HD PRO 71 37.484 5.063 2.018 568 H ILE 72 H ILE 72 34.525 9.520 3.631 569 HA ILE 72 HA ILE 72 31.914 9.253 2.770 570 HB ILE 72 HB ILE 72 33.469 11.834 2.992 571 HG12 ILE 72 1HG1 ILE 72 31.769 10.413 5.053 572 HG13 ILE 72 2HG1 ILE 72 33.529 10.420 5.036 573 HG21 ILE 72 1HG2 ILE 72 30.775 12.175 3.719 574 HG22 ILE 72 2HG2 ILE 72 31.609 12.834 2.312 575 HG23 ILE 72 3HG2 ILE 72 30.775 11.284 2.197 576 HD11 ILE 72 3HD1 ILE 72 33.620 12.720 5.523 577 HD12 ILE 72 1HD1 ILE 72 31.903 12.937 5.183 578 HD13 ILE 72 2HD1 ILE 72 32.413 12.035 6.611 579 H ALA 73 H ALA 73 34.739 10.252 0.977 580 HA ALA 73 HA ALA 73 33.412 11.399 -1.242 581 HB1 ALA 73 1HB ALA 73 35.628 11.989 -1.176 582 HB2 ALA 73 2HB ALA 73 36.161 10.367 -0.732 583 HB3 ALA 73 3HB ALA 73 35.665 10.709 -2.390 584 H THR 74 H THR 74 34.688 8.133 -0.658 585 HA THR 74 HA THR 74 33.923 7.085 -3.176 586 HB THR 74 HB THR 74 34.453 5.645 -0.570 587 HG1 THR 74 HG1 THR 74 36.479 5.205 -1.798 588 HG21 THR 74 3HG2 THR 74 34.836 3.667 -2.018 589 HG22 THR 74 1HG2 THR 74 34.229 4.591 -3.391 590 HG23 THR 74 2HG2 THR 74 33.161 4.220 -2.037 591 H VAL 75 H VAL 75 32.393 7.000 0.027 592 HA VAL 75 HA VAL 75 30.225 5.366 -0.576 593 HB VAL 75 HB VAL 75 30.193 7.729 1.307 594 HG11 VAL 75 1HG1 VAL 75 28.603 5.174 1.440 595 HG12 VAL 75 2HG1 VAL 75 28.414 6.617 2.438 596 HG13 VAL 75 3HG1 VAL 75 27.996 6.666 0.725 597 HG21 VAL 75 3HG2 VAL 75 31.638 6.651 2.603 598 HG22 VAL 75 1HG2 VAL 75 30.575 5.244 2.640 599 HG23 VAL 75 2HG2 VAL 75 31.797 5.394 1.377 600 H GLY 76 H GLY 76 30.629 8.854 -1.017 601 HA2 GLY 76 1HA GLY 76 28.012 9.514 -1.723 602 HA3 GLY 76 2HA GLY 76 29.446 10.368 -2.272 603 H ARG 77 H ARG 77 30.666 8.351 -3.767 604 HA ARG 77 HA ARG 77 29.421 8.642 -6.243 605 HB2 ARG 77 1HB ARG 77 31.514 6.731 -5.233 606 HB3 ARG 77 2HB ARG 77 30.937 6.662 -6.893 607 HG2 ARG 77 1HG ARG 77 31.551 9.134 -7.028 608 HG3 ARG 77 2HG ARG 77 32.437 8.867 -5.526 609 HD2 ARG 77 1HD ARG 77 33.554 6.918 -6.758 610 HD3 ARG 77 2HD ARG 77 32.907 7.647 -8.227 611 HE ARG 77 HE ARG 77 34.360 9.510 -6.613 612 HH11 ARG 77 2HH1 ARG 77 34.663 6.997 -9.003 613 HH12 ARG 77 1HH1 ARG 77 36.174 7.582 -9.617 614 HH21 ARG 77 2HH2 ARG 77 36.349 10.290 -7.412 615 HH22 ARG 77 1HH2 ARG 77 37.132 9.455 -8.710 616 H ASN 78 H ASN 78 29.115 6.133 -3.812 617 HA ASN 78 HA ASN 78 27.812 4.189 -5.357 618 HB2 ASN 78 1HB ASN 78 28.368 4.655 -2.558 619 HB3 ASN 78 2HB ASN 78 26.743 4.010 -2.768 620 HD21 ASN 78 2HD2 ASN 78 29.896 3.206 -2.335 621 HD22 ASN 78 1HD2 ASN 78 29.868 1.589 -2.942 622 H VAL 79 H VAL 79 26.648 7.093 -3.801 623 HA VAL 79 HA VAL 79 23.881 6.419 -4.498 624 HB VAL 79 HB VAL 79 23.232 8.345 -3.135 625 HG11 VAL 79 1HG1 VAL 79 24.931 6.179 -2.010 626 HG12 VAL 79 2HG1 VAL 79 24.394 7.471 -0.934 627 HG13 VAL 79 3HG1 VAL 79 23.209 6.491 -1.798 628 HG21 VAL 79 3HG2 VAL 79 26.137 8.661 -2.413 629 HG22 VAL 79 1HG2 VAL 79 25.334 9.645 -3.636 630 HG23 VAL 79 2HG2 VAL 79 24.786 9.700 -1.961 631 H GLY 80 H GLY 80 26.175 7.396 -6.303 632 HA2 GLY 80 1HA GLY 80 26.167 8.562 -8.297 633 HA3 GLY 80 2HA GLY 80 24.525 9.077 -7.942 634 H PHE 81 H PHE 81 26.354 9.793 -5.291 635 HA PHE 81 HA PHE 81 26.364 12.605 -5.944 636 HB2 PHE 81 1HB PHE 81 26.841 10.984 -3.479 637 HB3 PHE 81 2HB PHE 81 27.455 12.634 -3.536 638 HD1 PHE 81 HD2 PHE 81 24.307 11.139 -4.851 639 HD2 PHE 81 HD1 PHE 81 26.110 13.916 -2.176 640 HE1 PHE 81 HE2 PHE 81 22.080 11.983 -4.232 641 HE2 PHE 81 HE1 PHE 81 23.886 14.764 -1.552 642 HZ PHE 81 HZ PHE 81 21.867 13.798 -2.581 643 H ASP 82 H ASP 82 27.992 13.556 -6.953 644 HA ASP 82 HA ASP 82 30.607 12.299 -7.041 645 HB2 ASP 82 1HB ASP 82 29.273 13.519 -8.975 646 HB3 ASP 82 2HB ASP 82 30.060 14.947 -8.309 647 H ASP 83 H ASP 83 29.052 15.074 -5.600 648 HA ASP 83 HA ASP 83 31.596 16.128 -4.637 649 HB2 ASP 83 1HB ASP 83 28.776 17.146 -4.679 650 HB3 ASP 83 2HB ASP 83 29.943 17.848 -3.561 651 H GLN 84 H GLN 84 32.418 15.460 -2.778 652 HA GLN 84 HA GLN 84 31.089 13.739 -0.998 653 HB2 GLN 84 1HB GLN 84 33.025 14.143 0.504 654 HB3 GLN 84 2HB GLN 84 33.497 13.731 -1.139 655 HG2 GLN 84 1HG GLN 84 33.770 16.186 -1.571 656 HG3 GLN 84 2HG GLN 84 33.540 16.440 0.158 657 HE21 GLN 84 2HE2 GLN 84 35.495 14.562 -2.122 658 HE22 GLN 84 1HE2 GLN 84 36.953 14.630 -1.197 659 H LEU 85 H LEU 85 31.670 17.224 -0.904 660 HA LEU 85 HA LEU 85 30.601 17.625 1.695 661 HB2 LEU 85 1HB LEU 85 30.741 19.641 -0.536 662 HB3 LEU 85 2HB LEU 85 30.676 19.962 1.195 663 HG LEU 85 HG LEU 85 32.989 18.633 -0.214 664 HD11 LEU 85 1HD1 LEU 85 33.108 20.790 -1.019 665 HD12 LEU 85 2HD1 LEU 85 34.064 20.901 0.458 666 HD13 LEU 85 3HD1 LEU 85 32.401 21.488 0.439 667 HD21 LEU 85 3HD2 LEU 85 34.143 18.768 1.822 668 HD22 LEU 85 1HD2 LEU 85 32.544 18.164 2.255 669 HD23 LEU 85 2HD2 LEU 85 32.949 19.858 2.528 670 H TYR 86 H TYR 86 29.220 17.568 -1.526 671 HA TYR 86 HA TYR 86 26.743 18.753 -0.966 672 HB2 TYR 86 1HB TYR 86 27.410 18.408 -3.249 673 HB3 TYR 86 2HB TYR 86 27.524 16.668 -3.009 674 HD1 TYR 86 HD2 TYR 86 24.828 19.043 -2.014 675 HD2 TYR 86 HD1 TYR 86 25.950 15.738 -4.448 676 HE1 TYR 86 HE2 TYR 86 22.493 18.795 -2.745 677 HE2 TYR 86 HE1 TYR 86 23.618 15.482 -5.186 678 HH TYR 86 HH TYR 86 21.486 16.112 -4.805 679 H PHE 87 H PHE 87 27.842 15.408 -0.689 680 HA PHE 87 HA PHE 87 25.324 14.293 -0.046 681 HB2 PHE 87 1HB PHE 87 27.030 12.810 -0.796 682 HB3 PHE 87 2HB PHE 87 28.150 13.360 0.447 683 HD1 PHE 87 HD1 PHE 87 24.701 11.934 0.286 684 HD2 PHE 87 HD2 PHE 87 28.523 11.893 2.159 685 HE1 PHE 87 HE1 PHE 87 23.957 10.108 1.757 686 HE2 PHE 87 HE2 PHE 87 27.785 10.065 3.632 687 HZ PHE 87 HZ PHE 87 25.500 9.170 3.432 688 H SER 88 H SER 88 28.042 15.351 1.984 689 HA SER 88 HA SER 88 26.826 14.719 4.453 690 HB2 SER 88 1HB SER 88 29.263 15.098 4.164 691 HB3 SER 88 2HB SER 88 28.944 16.812 3.898 692 HG SER 88 HG SER 88 29.507 16.361 6.074 693 H ARG 89 H ARG 89 26.810 17.610 2.446 694 HA ARG 89 HA ARG 89 25.631 19.369 4.294 695 HB2 ARG 89 1HB ARG 89 25.778 19.288 1.298 696 HB3 ARG 89 2HB ARG 89 24.800 20.508 2.104 697 HG2 ARG 89 1HG ARG 89 27.724 20.073 2.659 698 HG3 ARG 89 2HG ARG 89 27.101 21.242 1.493 699 HD2 ARG 89 1HD ARG 89 26.573 21.187 4.461 700 HD3 ARG 89 2HD ARG 89 27.569 22.351 3.588 701 HE ARG 89 HE ARG 89 24.706 22.345 3.812 702 HH11 ARG 89 2HH1 ARG 89 27.419 23.370 1.887 703 HH12 ARG 89 1HH1 ARG 89 26.566 24.685 1.149 704 HH21 ARG 89 2HH2 ARG 89 23.571 24.073 2.848 705 HH22 ARG 89 1HH2 ARG 89 24.377 25.085 1.697 706 H VAL 90 H VAL 90 24.147 17.408 1.717 707 HA VAL 90 HA VAL 90 21.480 18.114 2.417 708 HB VAL 90 HB VAL 90 22.500 15.780 0.791 709 HG11 VAL 90 1HG1 VAL 90 19.885 16.359 1.784 710 HG12 VAL 90 2HG1 VAL 90 19.890 16.527 0.027 711 HG13 VAL 90 3HG1 VAL 90 20.416 15.017 0.771 712 HG21 VAL 90 3HG2 VAL 90 21.332 17.498 -0.957 713 HG22 VAL 90 1HG2 VAL 90 22.028 18.620 0.212 714 HG23 VAL 90 2HG2 VAL 90 23.060 17.450 -0.610 715 H PHE 91 H PHE 91 23.498 15.262 3.044 716 HA PHE 91 HA PHE 91 21.565 13.748 4.397 717 HB2 PHE 91 1HB PHE 91 23.687 12.808 3.575 718 HB3 PHE 91 2HB PHE 91 24.566 13.742 4.780 719 HD1 PHE 91 HD1 PHE 91 21.380 11.902 5.223 720 HD2 PHE 91 HD2 PHE 91 25.544 12.076 6.088 721 HE1 PHE 91 HE1 PHE 91 21.119 10.059 6.833 722 HE2 PHE 91 HE2 PHE 91 25.290 10.233 7.699 723 HZ PHE 91 HZ PHE 91 23.076 9.222 8.072 724 H LYS 92 H LYS 92 23.751 16.265 5.495 725 HA LYS 92 HA LYS 92 23.537 15.925 8.251 726 HB2 LYS 92 1HB LYS 92 25.153 17.456 7.369 727 HB3 LYS 92 2HB LYS 92 23.905 18.418 6.589 728 HG2 LYS 92 1HG LYS 92 23.092 19.192 8.706 729 HG3 LYS 92 2HG LYS 92 24.179 18.101 9.569 730 HD2 LYS 92 1HD LYS 92 26.063 19.349 9.029 731 HD3 LYS 92 2HD LYS 92 25.273 20.131 7.658 732 HE2 LYS 92 1HE LYS 92 23.960 21.500 9.096 733 HE3 LYS 92 2HE LYS 92 24.447 20.580 10.519 734 HZ1 LYS 92 3HZ LYS 92 25.647 22.657 10.399 735 HZ2 LYS 92 1HZ LYS 92 26.219 22.284 8.851 736 HZ3 LYS 92 2HZ LYS 92 26.720 21.368 10.182 737 H LYS 93 H LYS 93 21.537 17.909 6.078 738 HA LYS 93 HA LYS 93 19.732 18.665 8.180 739 HB2 LYS 93 1HB LYS 93 19.566 18.962 5.177 740 HB3 LYS 93 2HB LYS 93 18.382 19.621 6.298 741 HG2 LYS 93 1HG LYS 93 19.885 21.181 7.158 742 HG3 LYS 93 2HG LYS 93 21.287 20.314 6.528 743 HD2 LYS 93 1HD LYS 93 20.092 20.816 4.216 744 HD3 LYS 93 2HD LYS 93 19.399 22.147 5.144 745 HE2 LYS 93 1HE LYS 93 22.347 21.558 4.902 746 HE3 LYS 93 2HE LYS 93 21.480 22.763 3.951 747 HZ1 LYS 93 3HZ LYS 93 22.438 22.914 6.650 748 HZ2 LYS 93 1HZ LYS 93 20.817 23.378 6.509 749 HZ3 LYS 93 2HZ LYS 93 22.004 24.156 5.588 750 H CYS 94 H CYS 94 19.956 16.084 5.884 751 HA CYS 94 HA CYS 94 17.283 15.291 5.719 752 HB2 CYS 94 1HB CYS 94 19.579 14.397 4.616 753 HB3 CYS 94 2HB CYS 94 19.322 13.144 5.825 754 HG CYS 94 HG CYS 94 17.584 11.813 4.491 755 H THR 95 H THR 95 19.819 14.231 7.978 756 HA THR 95 HA THR 95 17.737 13.004 9.652 757 HB THR 95 HB THR 95 19.424 11.407 9.167 758 HG1 THR 95 HG1 THR 95 19.377 10.895 11.212 759 HG21 THR 95 3HG2 THR 95 21.211 13.717 9.409 760 HG22 THR 95 1HG2 THR 95 21.377 12.254 8.440 761 HG23 THR 95 2HG2 THR 95 21.838 12.241 10.143 762 H GLY 96 H GLY 96 19.699 15.738 9.425 763 HA2 GLY 96 1HA GLY 96 19.490 17.579 10.900 764 HA3 GLY 96 2HA GLY 96 19.015 16.470 12.178 765 H ALA 97 H ALA 97 21.499 14.896 10.933 766 HA ALA 97 HA ALA 97 23.588 16.445 12.289 767 HB1 ALA 97 1HB ALA 97 23.633 13.529 12.767 768 HB2 ALA 97 2HB ALA 97 24.112 14.861 13.819 769 HB3 ALA 97 3HB ALA 97 22.406 14.456 13.632 770 H SER 98 H SER 98 25.741 15.896 11.666 771 HA SER 98 HA SER 98 25.987 15.261 8.909 772 HB2 SER 98 1HB SER 98 27.693 16.266 11.021 773 HB3 SER 98 2HB SER 98 28.542 15.063 10.051 774 HG SER 98 HG SER 98 28.743 16.557 8.602 775 HA PRO 99 HA PRO 99 26.768 10.946 8.830 776 HB2 PRO 99 1HB PRO 99 28.934 10.711 7.210 777 HB3 PRO 99 2HB PRO 99 27.331 11.154 6.612 778 HG2 PRO 99 1HG PRO 99 29.672 12.912 7.235 779 HG3 PRO 99 2HG PRO 99 28.563 12.974 5.852 780 HD2 PRO 99 1HD PRO 99 28.335 14.636 7.978 781 HD3 PRO 99 2HD PRO 99 26.930 14.073 7.051 782 H SER 100 H SER 100 29.666 12.885 9.463 783 HA SER 100 HA SER 100 31.202 10.764 10.554 784 HB2 SER 100 1HB SER 100 31.454 13.758 10.929 785 HB3 SER 100 2HB SER 100 32.665 12.575 11.422 786 HG SER 100 HG SER 100 33.296 13.227 9.435 787 H GLU 101 H GLU 101 28.897 13.030 11.892 788 HA GLU 101 HA GLU 101 29.509 12.615 14.624 789 HB2 GLU 101 1HB GLU 101 26.777 13.334 13.588 790 HB3 GLU 101 2HB GLU 101 27.526 13.801 15.109 791 HG2 GLU 101 1HG GLU 101 28.273 14.769 12.360 792 HG3 GLU 101 2HG GLU 101 27.458 15.688 13.624 793 H PHE 102 H PHE 102 27.048 11.189 12.493 794 HA PHE 102 HA PHE 102 25.827 9.530 14.373 795 HB2 PHE 102 1HB PHE 102 24.876 9.951 12.154 796 HB3 PHE 102 2HB PHE 102 26.199 9.060 11.407 797 HD1 PHE 102 HD1 PHE 102 26.307 6.642 11.545 798 HD2 PHE 102 HD2 PHE 102 23.085 8.809 13.288 799 HE1 PHE 102 HE1 PHE 102 25.014 4.558 11.737 800 HE2 PHE 102 HE2 PHE 102 21.787 6.728 13.485 801 HZ PHE 102 HZ PHE 102 22.752 4.598 12.710 802 H ARG 103 H ARG 103 28.556 8.875 12.199 803 HA ARG 103 HA ARG 103 28.931 6.199 13.106 804 HB2 ARG 103 1HB ARG 103 30.602 8.105 11.485 805 HB3 ARG 103 2HB ARG 103 31.219 6.530 11.966 806 HG2 ARG 103 1HG ARG 103 28.585 6.714 10.581 807 HG3 ARG 103 2HG ARG 103 30.078 6.847 9.649 808 HD2 ARG 103 1HD ARG 103 29.764 4.607 11.594 809 HD3 ARG 103 2HD ARG 103 28.941 4.516 10.038 810 HE ARG 103 HE ARG 103 31.469 5.136 9.338 811 HH11 ARG 103 2HH1 ARG 103 30.118 2.683 11.407 812 HH12 ARG 103 1HH1 ARG 103 31.382 1.539 11.095 813 HH21 ARG 103 2HH2 ARG 103 33.138 3.638 8.918 814 HH22 ARG 103 1HH2 ARG 103 33.099 2.084 9.680 815 H ALA 104 H ALA 104 30.119 9.324 14.103 816 HA ALA 104 HA ALA 104 32.331 8.504 15.627 817 HB1 ALA 104 1HB ALA 104 30.669 10.925 15.422 818 HB2 ALA 104 2HB ALA 104 31.523 10.710 16.950 819 HB3 ALA 104 3HB ALA 104 32.424 10.747 15.435 820 H GLY 105 H GLY 105 28.914 8.406 16.260 821 HA2 GLY 105 1HA GLY 105 27.827 7.176 17.907 822 HA3 GLY 105 2HA GLY 105 29.385 6.850 18.653 823 H CYS 106 H CYS 106 28.932 10.133 17.988 824 HA CYS 106 HA CYS 106 28.698 10.714 20.814 825 HB2 CYS 106 1HB CYS 106 30.241 11.923 19.171 826 HB3 CYS 106 2HB CYS 106 28.796 12.729 18.573 827 HG CYS 106 HG CYS 106 30.414 14.294 20.416 828 H GLU 107 H GLU 107 26.887 11.239 21.846 829 HA GLU 107 HA GLU 107 24.673 11.606 22.241 830 HB2 GLU 107 1HB GLU 107 25.302 13.541 20.033 831 HB3 GLU 107 2HB GLU 107 23.672 13.429 20.684 832 HG2 GLU 107 1HG GLU 107 26.018 13.834 22.493 833 HG3 GLU 107 2HG GLU 107 25.283 15.190 21.640 Start of MODEL 19 1 H1 MET 1 H MET 1 1.785 -3.472 -0.592 2 HA MET 1 HA MET 1 2.257 -0.807 -1.718 3 HB2 MET 1 1HB MET 1 4.445 -1.854 -1.100 4 HB3 MET 1 2HB MET 1 4.085 -3.160 -2.221 5 HG2 MET 1 1HG MET 1 4.177 -1.706 -4.086 6 HG3 MET 1 2HG MET 1 4.204 -0.279 -3.054 7 HE1 MET 1 3HE MET 1 7.497 0.601 -3.880 8 HE2 MET 1 1HE MET 1 5.825 0.964 -3.453 9 HE3 MET 1 2HE MET 1 7.026 0.722 -2.184 10 H ASP 2 H ASP 2 1.755 -0.590 -3.894 11 HA ASP 2 HA ASP 2 -0.026 -2.633 -4.933 12 HB2 ASP 2 1HB ASP 2 0.101 0.179 -5.103 13 HB3 ASP 2 2HB ASP 2 0.364 -0.423 -6.737 14 H ASN 3 H ASN 3 0.202 -3.657 -6.932 15 HA ASN 3 HA ASN 3 2.830 -4.403 -7.637 16 HB2 ASN 3 1HB ASN 3 0.286 -4.765 -9.237 17 HB3 ASN 3 2HB ASN 3 1.790 -5.654 -9.462 18 HD21 ASN 3 2HD2 ASN 3 2.576 -6.797 -7.456 19 HD22 ASN 3 1HD2 ASN 3 1.381 -7.617 -6.516 20 H ARG 4 H ARG 4 0.683 -1.923 -8.797 21 HA ARG 4 HA ARG 4 2.022 -1.419 -11.257 22 HB2 ARG 4 1HB ARG 4 0.220 0.360 -9.604 23 HB3 ARG 4 2HB ARG 4 0.745 0.706 -11.246 24 HG2 ARG 4 1HG ARG 4 -0.553 -0.988 -12.156 25 HG3 ARG 4 2HG ARG 4 -0.703 -1.832 -10.613 26 HD2 ARG 4 1HD ARG 4 -1.891 0.428 -9.914 27 HD3 ARG 4 2HD ARG 4 -2.186 0.527 -11.649 28 HE ARG 4 HE ARG 4 -3.397 -1.299 -9.781 29 HH11 ARG 4 2HH1 ARG 4 -2.604 -0.699 -13.118 30 HH12 ARG 4 1HH1 ARG 4 -3.842 -1.742 -13.735 31 HH21 ARG 4 2HH2 ARG 4 -5.030 -2.676 -10.582 32 HH22 ARG 4 1HH2 ARG 4 -5.222 -2.865 -12.292 33 H VAL 5 H VAL 5 2.101 0.185 -8.081 34 HA VAL 5 HA VAL 5 4.092 2.074 -8.810 35 HB VAL 5 HB VAL 5 4.322 2.469 -6.374 36 HG11 VAL 5 1HG1 VAL 5 1.962 3.195 -6.004 37 HG12 VAL 5 2HG1 VAL 5 2.642 3.702 -7.552 38 HG13 VAL 5 3HG1 VAL 5 1.523 2.340 -7.483 39 HG21 VAL 5 3HG2 VAL 5 2.371 0.178 -6.169 40 HG22 VAL 5 1HG2 VAL 5 4.017 0.233 -5.537 41 HG23 VAL 5 2HG2 VAL 5 2.772 1.275 -4.848 42 H ARG 6 H ARG 6 4.182 -1.119 -7.326 43 HA ARG 6 HA ARG 6 6.803 -1.184 -6.431 44 HB2 ARG 6 1HB ARG 6 4.910 -2.953 -6.251 45 HB3 ARG 6 2HB ARG 6 5.554 -3.565 -7.768 46 HG2 ARG 6 1HG ARG 6 7.417 -4.401 -6.802 47 HG3 ARG 6 2HG ARG 6 7.505 -3.113 -5.599 48 HD2 ARG 6 1HD ARG 6 6.064 -4.174 -4.158 49 HD3 ARG 6 2HD ARG 6 5.263 -5.068 -5.449 50 HE ARG 6 HE ARG 6 7.483 -5.937 -3.909 51 HH11 ARG 6 2HH1 ARG 6 6.117 -6.066 -7.108 52 HH12 ARG 6 1HH1 ARG 6 6.864 -7.578 -7.507 53 HH21 ARG 6 2HH2 ARG 6 8.471 -7.927 -4.422 54 HH22 ARG 6 1HH2 ARG 6 8.202 -8.636 -5.978 55 H GLU 7 H GLU 7 5.530 -1.655 -9.681 56 HA GLU 7 HA GLU 7 8.006 -2.492 -10.823 57 HB2 GLU 7 1HB GLU 7 5.419 -2.546 -11.662 58 HB3 GLU 7 2HB GLU 7 6.040 -1.191 -12.595 59 HG2 GLU 7 1HG GLU 7 6.482 -2.887 -14.036 60 HG3 GLU 7 2HG GLU 7 7.989 -2.877 -13.121 61 H ALA 8 H ALA 8 6.433 0.592 -10.313 62 HA ALA 8 HA ALA 8 8.179 2.093 -12.008 63 HB1 ALA 8 1HB ALA 8 6.174 3.176 -11.701 64 HB2 ALA 8 2HB ALA 8 6.094 2.772 -9.985 65 HB3 ALA 8 3HB ALA 8 7.202 4.025 -10.545 66 H CYS 9 H CYS 9 7.964 1.595 -8.494 67 HA CYS 9 HA CYS 9 10.135 3.233 -7.793 68 HB2 CYS 9 1HB CYS 9 9.993 2.274 -5.640 69 HB3 CYS 9 2HB CYS 9 8.349 2.230 -6.265 70 HG CYS 9 HG CYS 9 9.867 -0.172 -4.893 71 H GLN 10 H GLN 10 9.966 -0.062 -8.935 72 HA GLN 10 HA GLN 10 12.595 -0.834 -8.204 73 HB2 GLN 10 1HB GLN 10 10.549 -2.273 -8.966 74 HB3 GLN 10 2HB GLN 10 11.180 -1.984 -10.582 75 HG2 GLN 10 1HG GLN 10 12.118 -4.014 -9.979 76 HG3 GLN 10 2HG GLN 10 13.405 -2.852 -9.661 77 HE21 GLN 10 2HE2 GLN 10 14.460 -3.315 -7.882 78 HE22 GLN 10 1HE2 GLN 10 13.783 -3.947 -6.424 79 H TYR 11 H TYR 11 11.221 0.745 -11.024 80 HA TYR 11 HA TYR 11 13.528 0.537 -12.666 81 HB2 TYR 11 1HB TYR 11 11.510 0.958 -13.805 82 HB3 TYR 11 2HB TYR 11 11.078 2.283 -12.731 83 HD1 TYR 11 HD1 TYR 11 13.959 1.420 -14.963 84 HD2 TYR 11 HD2 TYR 11 11.160 4.366 -13.700 85 HE1 TYR 11 HE1 TYR 11 14.932 3.021 -16.557 86 HE2 TYR 11 HE2 TYR 11 12.125 5.973 -15.291 87 HH TYR 11 HH TYR 11 14.239 6.343 -16.480 88 H ILE 12 H ILE 12 12.293 3.066 -10.514 89 HA ILE 12 HA ILE 12 14.232 5.013 -11.072 90 HB ILE 12 HB ILE 12 12.746 4.548 -8.484 91 HG12 ILE 12 1HG1 ILE 12 11.938 6.747 -10.258 92 HG13 ILE 12 2HG1 ILE 12 11.684 5.145 -10.942 93 HG21 ILE 12 1HG2 ILE 12 14.587 6.676 -9.416 94 HG22 ILE 12 2HG2 ILE 12 13.170 7.170 -8.491 95 HG23 ILE 12 3HG2 ILE 12 14.324 6.033 -7.795 96 HD11 ILE 12 3HD1 ILE 12 10.753 5.069 -8.284 97 HD12 ILE 12 1HD1 ILE 12 10.123 6.541 -9.022 98 HD13 ILE 12 2HD1 ILE 12 9.819 4.975 -9.776 99 H SER 13 H SER 13 14.233 2.283 -8.855 100 HA SER 13 HA SER 13 16.458 2.930 -7.309 101 HB2 SER 13 1HB SER 13 14.874 1.012 -6.920 102 HB3 SER 13 2HB SER 13 15.706 0.141 -8.208 103 HG SER 13 HG SER 13 16.822 1.071 -5.771 104 H ASP 14 H ASP 14 16.247 1.419 -10.485 105 HA ASP 14 HA ASP 14 18.985 0.730 -10.704 106 HB2 ASP 14 1HB ASP 14 16.914 -0.025 -12.122 107 HB3 ASP 14 2HB ASP 14 17.311 1.383 -13.103 108 H HIS 15 H HIS 15 17.162 3.636 -11.418 109 HA HIS 15 HA HIS 15 19.553 4.915 -12.527 110 HB2 HIS 15 1HB HIS 15 16.640 5.697 -12.503 111 HB3 HIS 15 2HB HIS 15 17.910 6.806 -13.011 112 HD1 HIS 15 HD1 HIS 15 18.340 6.795 -15.440 113 HD2 HIS 15 HD2 HIS 15 16.786 3.169 -14.136 114 HE1 HIS 15 HE1 HIS 15 18.062 5.398 -17.513 115 H LEU 16 H LEU 16 18.874 4.278 -9.604 116 HA LEU 16 HA LEU 16 18.374 6.601 -8.166 117 HB2 LEU 16 1HB LEU 16 18.507 4.256 -7.283 118 HB3 LEU 16 2HB LEU 16 20.262 4.408 -7.331 119 HG LEU 16 HG LEU 16 20.035 6.343 -5.740 120 HD11 LEU 16 1HD1 LEU 16 17.390 6.247 -6.379 121 HD12 LEU 16 2HD1 LEU 16 18.060 7.049 -4.960 122 HD13 LEU 16 3HD1 LEU 16 17.416 5.414 -4.825 123 HD21 LEU 16 3HD2 LEU 16 20.790 4.341 -4.799 124 HD22 LEU 16 1HD2 LEU 16 19.228 3.548 -5.006 125 HD23 LEU 16 2HD2 LEU 16 19.423 4.805 -3.785 126 H ALA 17 H ALA 17 21.233 5.588 -9.840 127 HA ALA 17 HA ALA 17 22.892 7.606 -8.551 128 HB1 ALA 17 1HB ALA 17 23.873 6.044 -10.878 129 HB2 ALA 17 2HB ALA 17 24.708 6.521 -9.399 130 HB3 ALA 17 3HB ALA 17 23.563 5.180 -9.371 131 H ASP 18 H ASP 18 20.957 7.211 -11.360 132 HA ASP 18 HA ASP 18 22.229 8.987 -13.126 133 HB2 ASP 18 1HB ASP 18 20.177 7.342 -13.431 134 HB3 ASP 18 2HB ASP 18 19.249 8.798 -13.085 135 H SER 19 H SER 19 22.108 11.164 -13.430 136 HA SER 19 HA SER 19 21.246 12.738 -11.170 137 HB2 SER 19 1HB SER 19 22.118 14.652 -12.649 138 HB3 SER 19 2HB SER 19 23.293 13.457 -12.101 139 HG SER 19 HG SER 19 23.722 13.395 -14.174 140 H ASN 20 H ASN 20 20.469 12.647 -14.645 141 HA ASN 20 HA ASN 20 18.196 14.400 -14.251 142 HB2 ASN 20 1HB ASN 20 19.581 13.192 -16.604 143 HB3 ASN 20 2HB ASN 20 17.906 13.701 -16.797 144 HD21 ASN 20 2HD2 ASN 20 20.730 15.014 -15.092 145 HD22 ASN 20 1HD2 ASN 20 20.634 16.589 -15.797 146 H PHE 21 H PHE 21 16.461 13.527 -13.312 147 HA PHE 21 HA PHE 21 15.605 10.845 -14.177 148 HB2 PHE 21 1HB PHE 21 16.049 10.843 -11.822 149 HB3 PHE 21 2HB PHE 21 15.134 12.329 -11.589 150 HD1 PHE 21 HD2 PHE 21 14.427 9.068 -13.266 151 HD2 PHE 21 HD1 PHE 21 13.225 11.961 -10.384 152 HE1 PHE 21 HE2 PHE 21 12.411 7.744 -12.783 153 HE2 PHE 21 HE1 PHE 21 11.207 10.640 -9.896 154 HZ PHE 21 HZ PHE 21 10.797 8.529 -11.097 155 H ASP 22 H ASP 22 13.674 10.592 -15.130 156 HA ASP 22 HA ASP 22 11.917 12.953 -15.289 157 HB2 ASP 22 1HB ASP 22 13.136 12.035 -17.410 158 HB3 ASP 22 2HB ASP 22 11.903 10.779 -17.356 159 H ILE 23 H ILE 23 10.151 12.697 -14.103 160 HA ILE 23 HA ILE 23 9.242 10.225 -13.101 161 HB ILE 23 HB ILE 23 8.781 12.471 -12.080 162 HG12 ILE 23 1HG1 ILE 23 6.392 10.689 -12.604 163 HG13 ILE 23 2HG1 ILE 23 7.598 10.455 -11.343 164 HG21 ILE 23 1HG2 ILE 23 7.179 13.923 -12.921 165 HG22 ILE 23 2HG2 ILE 23 8.021 13.385 -14.374 166 HG23 ILE 23 3HG2 ILE 23 6.456 12.688 -13.952 167 HD11 ILE 23 3HD1 ILE 23 5.781 11.407 -10.250 168 HD12 ILE 23 1HD1 ILE 23 6.890 12.756 -10.497 169 HD13 ILE 23 2HD1 ILE 23 5.486 12.564 -11.548 170 H ALA 24 H ALA 24 8.513 11.996 -16.008 171 HA ALA 24 HA ALA 24 6.067 10.832 -16.702 172 HB1 ALA 24 1HB ALA 24 6.639 12.660 -17.997 173 HB2 ALA 24 2HB ALA 24 8.281 12.080 -18.276 174 HB3 ALA 24 3HB ALA 24 6.924 11.316 -19.103 175 H SER 25 H SER 25 9.387 9.794 -17.406 176 HA SER 25 HA SER 25 8.716 7.577 -19.001 177 HB2 SER 25 1HB SER 25 11.162 7.802 -17.240 178 HB3 SER 25 2HB SER 25 10.993 6.876 -18.732 179 HG SER 25 HG SER 25 12.003 8.719 -19.329 180 H VAL 26 H VAL 26 8.828 8.031 -15.551 181 HA VAL 26 HA VAL 26 8.874 5.293 -14.807 182 HB VAL 26 HB VAL 26 7.837 7.681 -13.274 183 HG11 VAL 26 1HG1 VAL 26 8.538 4.907 -12.319 184 HG12 VAL 26 2HG1 VAL 26 8.111 6.272 -11.285 185 HG13 VAL 26 3HG1 VAL 26 6.920 5.603 -12.401 186 HG21 VAL 26 3HG2 VAL 26 10.003 8.240 -13.234 187 HG22 VAL 26 1HG2 VAL 26 10.199 6.882 -12.126 188 HG23 VAL 26 2HG2 VAL 26 10.512 6.668 -13.849 189 H ALA 27 H ALA 27 6.279 7.601 -15.434 190 HA ALA 27 HA ALA 27 4.151 5.943 -14.574 191 HB1 ALA 27 1HB ALA 27 4.288 8.528 -15.182 192 HB2 ALA 27 2HB ALA 27 3.664 7.928 -16.720 193 HB3 ALA 27 3HB ALA 27 2.773 7.627 -15.228 194 H GLN 28 H GLN 28 5.655 6.487 -17.734 195 HA GLN 28 HA GLN 28 3.868 4.924 -19.243 196 HB2 GLN 28 1HB GLN 28 5.334 6.463 -20.359 197 HB3 GLN 28 2HB GLN 28 6.758 5.659 -19.711 198 HG2 GLN 28 1HG GLN 28 6.394 3.744 -21.075 199 HG3 GLN 28 2HG GLN 28 4.811 4.335 -21.579 200 HE21 GLN 28 2HE2 GLN 28 6.008 3.787 -23.671 201 HE22 GLN 28 1HE2 GLN 28 6.837 5.100 -24.429 202 H HIS 29 H HIS 29 6.786 4.113 -17.451 203 HA HIS 29 HA HIS 29 7.199 1.524 -18.404 204 HB2 HIS 29 1HB HIS 29 8.897 2.510 -17.061 205 HB3 HIS 29 2HB HIS 29 7.780 2.790 -15.729 206 HD1 HIS 29 HD1 HIS 29 8.200 -0.493 -17.555 207 HD2 HIS 29 HD2 HIS 29 8.982 1.204 -13.845 208 HE1 HIS 29 HE1 HIS 29 8.955 -2.394 -16.092 209 H VAL 30 H VAL 30 4.974 2.750 -15.983 210 HA VAL 30 HA VAL 30 4.060 0.039 -15.366 211 HB VAL 30 HB VAL 30 2.682 1.109 -13.620 212 HG11 VAL 30 1HG1 VAL 30 4.637 1.995 -12.251 213 HG12 VAL 30 2HG1 VAL 30 4.782 0.352 -12.880 214 HG13 VAL 30 3HG1 VAL 30 5.632 1.680 -13.672 215 HG21 VAL 30 3HG2 VAL 30 2.706 3.415 -13.184 216 HG22 VAL 30 1HG2 VAL 30 4.085 3.688 -14.250 217 HG23 VAL 30 2HG2 VAL 30 2.508 3.293 -14.932 218 H CYS 31 H CYS 31 3.536 1.809 -17.868 219 HA CYS 31 HA CYS 31 1.828 2.238 -19.314 220 HB2 CYS 31 1HB CYS 31 0.555 -0.117 -17.904 221 HB3 CYS 31 2HB CYS 31 0.133 0.489 -19.501 222 HG CYS 31 HG CYS 31 3.297 -0.084 -19.651 223 H LEU 32 H LEU 32 1.773 3.785 -16.953 224 HA LEU 32 HA LEU 32 -1.084 4.404 -16.856 225 HB2 LEU 32 1HB LEU 32 0.535 3.424 -14.647 226 HB3 LEU 32 2HB LEU 32 -0.236 4.968 -14.289 227 HG LEU 32 HG LEU 32 -1.835 2.662 -15.344 228 HD11 LEU 32 1HD1 LEU 32 -0.616 1.812 -13.410 229 HD12 LEU 32 2HD1 LEU 32 -2.330 2.010 -13.047 230 HD13 LEU 32 3HD1 LEU 32 -1.161 3.189 -12.453 231 HD21 LEU 32 3HD2 LEU 32 -3.394 4.249 -15.239 232 HD22 LEU 32 1HD2 LEU 32 -2.335 5.338 -14.343 233 HD23 LEU 32 2HD2 LEU 32 -3.275 4.118 -13.484 234 H SER 33 H SER 33 -1.506 6.584 -15.970 235 HA SER 33 HA SER 33 0.393 8.459 -17.055 236 HB2 SER 33 1HB SER 33 -2.395 8.592 -16.012 237 HB3 SER 33 2HB SER 33 -1.446 10.079 -15.996 238 HG SER 33 HG SER 33 -2.487 9.954 -17.958 239 HA PRO 34 HA PRO 34 2.473 9.726 -13.408 240 HB2 PRO 34 1HB PRO 34 2.666 12.413 -13.750 241 HB3 PRO 34 2HB PRO 34 3.604 11.254 -14.699 242 HG2 PRO 34 1HG PRO 34 1.086 12.700 -15.426 243 HG3 PRO 34 2HG PRO 34 2.532 12.406 -16.410 244 HD2 PRO 34 1HD PRO 34 0.278 10.926 -16.654 245 HD3 PRO 34 2HD PRO 34 1.897 10.250 -16.924 246 H SER 35 H SER 35 -0.437 11.584 -14.188 247 HA SER 35 HA SER 35 -0.763 12.752 -11.631 248 HB2 SER 35 1HB SER 35 -2.605 12.302 -13.966 249 HB3 SER 35 2HB SER 35 -3.211 12.974 -12.453 250 HG SER 35 HG SER 35 -2.161 14.332 -14.348 251 H ARG 36 H ARG 36 -2.194 9.873 -13.142 252 HA ARG 36 HA ARG 36 -3.714 9.155 -10.837 253 HB2 ARG 36 1HB ARG 36 -2.891 7.395 -13.151 254 HB3 ARG 36 2HB ARG 36 -4.209 7.104 -12.024 255 HG2 ARG 36 1HG ARG 36 -4.078 9.445 -13.912 256 HG3 ARG 36 2HG ARG 36 -4.935 7.938 -14.242 257 HD2 ARG 36 1HD ARG 36 -6.583 8.382 -12.724 258 HD3 ARG 36 2HD ARG 36 -5.522 9.339 -11.691 259 HE ARG 36 HE ARG 36 -5.831 10.764 -14.043 260 HH11 ARG 36 2HH1 ARG 36 -7.856 9.593 -11.464 261 HH12 ARG 36 1HH1 ARG 36 -9.010 10.878 -11.612 262 HH21 ARG 36 2HH2 ARG 36 -7.342 12.460 -14.246 263 HH22 ARG 36 1HH2 ARG 36 -8.717 12.507 -13.195 264 H LEU 37 H LEU 37 -0.571 8.227 -12.131 265 HA LEU 37 HA LEU 37 -0.095 6.116 -10.292 266 HB2 LEU 37 1HB LEU 37 1.117 6.200 -12.359 267 HB3 LEU 37 2HB LEU 37 1.770 7.788 -11.964 268 HG LEU 37 HG LEU 37 2.946 6.636 -10.015 269 HD11 LEU 37 1HD1 LEU 37 3.333 4.122 -11.005 270 HD12 LEU 37 2HD1 LEU 37 1.609 4.368 -11.281 271 HD13 LEU 37 3HD1 LEU 37 2.274 4.535 -9.656 272 HD21 LEU 37 3HD2 LEU 37 3.695 7.126 -12.608 273 HD22 LEU 37 1HD2 LEU 37 4.126 5.429 -12.393 274 HD23 LEU 37 2HD2 LEU 37 4.776 6.648 -11.297 275 H SER 38 H SER 38 0.670 9.560 -10.311 276 HA SER 38 HA SER 38 2.370 9.629 -8.093 277 HB2 SER 38 1HB SER 38 1.782 12.017 -7.940 278 HB3 SER 38 2HB SER 38 2.085 11.538 -9.610 279 HG SER 38 HG SER 38 -0.267 12.348 -8.388 280 H HIS 39 H HIS 39 -1.151 9.759 -8.309 281 HA HIS 39 HA HIS 39 -1.711 10.384 -5.641 282 HB2 HIS 39 1HB HIS 39 -3.392 10.417 -7.453 283 HB3 HIS 39 2HB HIS 39 -3.338 8.658 -7.520 284 HD1 HIS 39 HD1 HIS 39 -4.992 11.435 -5.829 285 HD2 HIS 39 HD2 HIS 39 -4.336 7.400 -5.086 286 HE1 HIS 39 HE1 HIS 39 -6.634 10.807 -4.031 287 H LEU 40 H LEU 40 -1.414 7.211 -7.221 288 HA LEU 40 HA LEU 40 -1.825 5.733 -4.822 289 HB2 LEU 40 1HB LEU 40 -0.444 4.797 -7.328 290 HB3 LEU 40 2HB LEU 40 -1.221 3.801 -6.099 291 HG LEU 40 HG LEU 40 -2.699 5.731 -7.883 292 HD11 LEU 40 1HD1 LEU 40 -3.311 3.038 -8.487 293 HD12 LEU 40 2HD1 LEU 40 -1.556 3.206 -8.528 294 HD13 LEU 40 3HD1 LEU 40 -2.565 4.253 -9.526 295 HD21 LEU 40 3HD2 LEU 40 -3.455 3.822 -5.737 296 HD22 LEU 40 1HD2 LEU 40 -4.534 3.982 -7.123 297 HD23 LEU 40 2HD2 LEU 40 -4.137 5.397 -6.147 298 H PHE 41 H PHE 41 0.970 7.067 -6.436 299 HA PHE 41 HA PHE 41 2.944 5.586 -5.043 300 HB2 PHE 41 1HB PHE 41 2.938 7.420 -7.119 301 HB3 PHE 41 2HB PHE 41 3.763 8.277 -5.822 302 HD1 PHE 41 HD2 PHE 41 3.874 5.381 -8.060 303 HD2 PHE 41 HD1 PHE 41 5.912 7.562 -5.026 304 HE1 PHE 41 HE2 PHE 41 5.943 4.152 -8.571 305 HE2 PHE 41 HE1 PHE 41 7.985 6.337 -5.533 306 HZ PHE 41 HZ PHE 41 8.002 4.628 -7.307 307 H ARG 42 H ARG 42 1.652 8.868 -4.553 308 HA ARG 42 HA ARG 42 3.136 9.326 -2.168 309 HB2 ARG 42 1HB ARG 42 0.873 10.710 -3.557 310 HB3 ARG 42 2HB ARG 42 1.288 11.172 -1.911 311 HG2 ARG 42 1HG ARG 42 3.728 11.237 -3.038 312 HG3 ARG 42 2HG ARG 42 2.728 11.644 -4.434 313 HD2 ARG 42 1HD ARG 42 2.775 13.739 -3.662 314 HD3 ARG 42 2HD ARG 42 1.644 13.181 -2.429 315 HE ARG 42 HE ARG 42 4.023 12.604 -1.324 316 HH11 ARG 42 2HH1 ARG 42 2.776 15.490 -2.820 317 HH12 ARG 42 1HH1 ARG 42 3.733 16.562 -1.853 318 HH21 ARG 42 2HH2 ARG 42 5.289 14.005 -0.044 319 HH22 ARG 42 1HH2 ARG 42 5.163 15.716 -0.275 320 H GLN 43 H GLN 43 0.073 7.855 -2.883 321 HA GLN 43 HA GLN 43 -0.908 7.979 -0.179 322 HB2 GLN 43 1HB GLN 43 -2.428 7.940 -2.134 323 HB3 GLN 43 2HB GLN 43 -1.879 6.311 -2.506 324 HG2 GLN 43 1HG GLN 43 -3.737 5.764 -1.357 325 HG3 GLN 43 2HG GLN 43 -2.640 5.917 0.014 326 HE21 GLN 43 2HE2 GLN 43 -4.073 6.549 1.535 327 HE22 GLN 43 1HE2 GLN 43 -4.968 8.025 1.473 328 H GLN 44 H GLN 44 0.632 5.568 -2.248 329 HA GLN 44 HA GLN 44 0.478 3.507 -0.239 330 HB2 GLN 44 1HB GLN 44 1.885 3.661 -2.905 331 HB3 GLN 44 2HB GLN 44 1.952 2.250 -1.858 332 HG2 GLN 44 1HG GLN 44 -0.656 3.401 -2.780 333 HG3 GLN 44 2HG GLN 44 0.254 2.251 -3.758 334 HE21 GLN 44 2HE2 GLN 44 -2.367 2.193 -2.217 335 HE22 GLN 44 1HE2 GLN 44 -2.277 0.728 -1.306 336 H LEU 45 H LEU 45 2.952 5.673 -1.531 337 HA LEU 45 HA LEU 45 4.952 4.608 0.291 338 HB2 LEU 45 1HB LEU 45 5.168 6.918 -1.632 339 HB3 LEU 45 2HB LEU 45 6.496 6.104 -0.807 340 HG LEU 45 HG LEU 45 4.936 5.263 -3.194 341 HD11 LEU 45 1HD1 LEU 45 7.187 6.252 -3.362 342 HD12 LEU 45 2HD1 LEU 45 7.120 4.603 -3.984 343 HD13 LEU 45 3HD1 LEU 45 7.823 4.919 -2.397 344 HD21 LEU 45 3HD2 LEU 45 5.976 2.927 -2.732 345 HD22 LEU 45 1HD2 LEU 45 4.435 3.358 -1.989 346 HD23 LEU 45 2HD2 LEU 45 5.921 3.436 -1.043 347 H GLY 46 H GLY 46 2.638 7.123 0.185 348 HA2 GLY 46 1HA GLY 46 2.026 8.579 1.880 349 HA3 GLY 46 2HA GLY 46 3.398 8.009 2.819 350 H ILE 47 H ILE 47 4.686 8.755 -0.070 351 HA ILE 47 HA ILE 47 4.869 11.631 0.316 352 HB ILE 47 HB ILE 47 7.168 11.778 0.664 353 HG12 ILE 47 1HG1 ILE 47 7.898 10.189 -1.030 354 HG13 ILE 47 2HG1 ILE 47 8.711 9.847 0.494 355 HG21 ILE 47 1HG2 ILE 47 7.636 10.417 2.641 356 HG22 ILE 47 2HG2 ILE 47 5.993 11.055 2.673 357 HG23 ILE 47 3HG2 ILE 47 6.275 9.368 2.242 358 HD11 ILE 47 3HD1 ILE 47 8.089 7.773 -0.444 359 HD12 ILE 47 1HD1 ILE 47 6.982 8.075 0.895 360 HD13 ILE 47 2HD1 ILE 47 6.448 8.332 -0.767 361 H SER 48 H SER 48 6.313 12.620 -1.411 362 HA SER 48 HA SER 48 5.479 11.590 -3.955 363 HB2 SER 48 1HB SER 48 6.847 14.040 -2.972 364 HB3 SER 48 2HB SER 48 7.131 13.588 -4.653 365 HG SER 48 HG SER 48 5.277 14.497 -5.010 366 H VAL 49 H VAL 49 6.892 11.096 -5.732 367 HA VAL 49 HA VAL 49 8.821 9.186 -5.191 368 HB VAL 49 HB VAL 49 8.725 10.896 -7.678 369 HG11 VAL 49 1HG1 VAL 49 9.728 8.086 -7.231 370 HG12 VAL 49 2HG1 VAL 49 9.695 8.943 -8.774 371 HG13 VAL 49 3HG1 VAL 49 10.733 9.515 -7.467 372 HG21 VAL 49 3HG2 VAL 49 7.443 8.400 -8.059 373 HG22 VAL 49 1HG2 VAL 49 6.756 9.138 -6.612 374 HG23 VAL 49 2HG2 VAL 49 6.739 10.015 -8.141 375 H LEU 50 H LEU 50 9.206 12.649 -5.759 376 HA LEU 50 HA LEU 50 11.964 12.796 -6.003 377 HB2 LEU 50 1HB LEU 50 9.833 14.641 -5.090 378 HB3 LEU 50 2HB LEU 50 11.495 15.076 -4.698 379 HG LEU 50 HG LEU 50 10.746 16.183 -6.734 380 HD11 LEU 50 1HD1 LEU 50 12.724 14.056 -7.502 381 HD12 LEU 50 2HD1 LEU 50 13.125 15.376 -6.404 382 HD13 LEU 50 3HD1 LEU 50 12.635 15.726 -8.061 383 HD21 LEU 50 3HD2 LEU 50 10.124 14.994 -8.703 384 HD22 LEU 50 1HD2 LEU 50 9.125 14.387 -7.382 385 HD23 LEU 50 2HD2 LEU 50 10.498 13.440 -7.956 386 H SER 51 H SER 51 9.977 12.786 -3.067 387 HA SER 51 HA SER 51 12.199 13.055 -1.294 388 HB2 SER 51 1HB SER 51 9.385 12.081 -0.737 389 HB3 SER 51 2HB SER 51 10.570 12.552 0.481 390 HG SER 51 HG SER 51 10.344 14.625 -0.068 391 H TRP 52 H TRP 52 10.221 10.332 -2.399 392 HA TRP 52 HA TRP 52 11.347 8.345 -0.786 393 HB2 TRP 52 1HB TRP 52 9.298 7.992 -2.079 394 HB3 TRP 52 2HB TRP 52 10.211 8.103 -3.581 395 HD1 TRP 52 HD1 TRP 52 9.704 5.769 -0.566 396 HE1 TRP 52 HE1 TRP 52 10.453 3.400 -1.241 397 HE3 TRP 52 HE3 TRP 52 11.662 6.817 -5.171 398 HZ2 TRP 52 HZ2 TRP 52 11.709 2.143 -3.434 399 HZ3 TRP 52 HZ3 TRP 52 12.618 4.975 -6.493 400 HH2 TRP 52 HH2 TRP 52 12.640 2.688 -5.641 401 H ARG 53 H ARG 53 12.346 9.604 -3.934 402 HA ARG 53 HA ARG 53 14.355 7.737 -4.494 403 HB2 ARG 53 1HB ARG 53 13.333 9.662 -5.943 404 HB3 ARG 53 2HB ARG 53 14.648 10.615 -5.269 405 HG2 ARG 53 1HG ARG 53 15.439 8.010 -6.368 406 HG3 ARG 53 2HG ARG 53 14.813 9.169 -7.543 407 HD2 ARG 53 1HD ARG 53 16.790 10.156 -5.565 408 HD3 ARG 53 2HD ARG 53 17.380 9.083 -6.833 409 HE ARG 53 HE ARG 53 15.764 11.263 -7.795 410 HH11 ARG 53 2HH1 ARG 53 18.973 10.218 -6.941 411 HH12 ARG 53 1HH1 ARG 53 19.762 11.399 -7.934 412 HH21 ARG 53 2HH2 ARG 53 16.791 12.822 -9.105 413 HH22 ARG 53 1HH2 ARG 53 18.520 12.880 -9.164 414 H GLU 54 H GLU 54 14.531 10.866 -2.817 415 HA GLU 54 HA GLU 54 17.312 10.769 -2.322 416 HB2 GLU 54 1HB GLU 54 16.193 12.880 -2.197 417 HB3 GLU 54 2HB GLU 54 15.073 12.283 -0.981 418 HG2 GLU 54 1HG GLU 54 17.961 12.213 -0.332 419 HG3 GLU 54 2HG GLU 54 17.166 13.786 -0.373 420 H ASP 55 H ASP 55 14.507 9.665 -0.499 421 HA ASP 55 HA ASP 55 15.894 9.017 1.883 422 HB2 ASP 55 1HB ASP 55 13.317 9.237 1.373 423 HB3 ASP 55 2HB ASP 55 13.448 7.510 1.048 424 H GLN 56 H GLN 56 15.190 7.231 -1.065 425 HA GLN 56 HA GLN 56 16.012 4.690 -0.132 426 HB2 GLN 56 1HB GLN 56 15.595 5.911 -2.833 427 HB3 GLN 56 2HB GLN 56 16.377 4.341 -2.705 428 HG2 GLN 56 1HG GLN 56 13.778 4.826 -1.323 429 HG3 GLN 56 2HG GLN 56 13.813 4.490 -3.053 430 HE21 GLN 56 2HE2 GLN 56 13.124 3.048 -0.346 431 HE22 GLN 56 1HE2 GLN 56 13.738 1.457 -0.620 432 H ARG 57 H ARG 57 17.708 7.255 -1.899 433 HA ARG 57 HA ARG 57 20.162 5.833 -2.109 434 HB2 ARG 57 1HB ARG 57 21.115 8.035 -2.737 435 HB3 ARG 57 2HB ARG 57 19.671 7.625 -3.654 436 HG2 ARG 57 1HG ARG 57 18.346 9.074 -2.165 437 HG3 ARG 57 2HG ARG 57 19.831 9.526 -1.325 438 HD2 ARG 57 1HD ARG 57 20.601 10.088 -3.804 439 HD3 ARG 57 2HD ARG 57 18.863 10.280 -4.028 440 HE ARG 57 HE ARG 57 19.928 11.679 -1.745 441 HH11 ARG 57 2HH1 ARG 57 19.233 11.828 -5.153 442 HH12 ARG 57 1HH1 ARG 57 19.157 13.559 -5.195 443 HH21 ARG 57 2HH2 ARG 57 19.831 13.958 -1.787 444 HH22 ARG 57 1HH2 ARG 57 19.498 14.769 -3.280 445 H ILE 58 H ILE 58 18.903 8.231 0.163 446 HA ILE 58 HA ILE 58 21.313 8.491 1.651 447 HB ILE 58 HB ILE 58 18.453 9.161 2.332 448 HG12 ILE 58 1HG1 ILE 58 19.594 10.495 0.558 449 HG13 ILE 58 2HG1 ILE 58 19.141 11.449 1.966 450 HG21 ILE 58 1HG2 ILE 58 19.820 10.597 4.119 451 HG22 ILE 58 2HG2 ILE 58 19.201 8.983 4.465 452 HG23 ILE 58 3HG2 ILE 58 20.891 9.199 4.008 453 HD11 ILE 58 3HD1 ILE 58 21.797 10.421 2.286 454 HD12 ILE 58 1HD1 ILE 58 21.648 11.276 0.751 455 HD13 ILE 58 2HD1 ILE 58 21.235 12.092 2.259 456 H SER 59 H SER 59 18.549 6.351 1.823 457 HA SER 59 HA SER 59 19.033 5.322 4.414 458 HB2 SER 59 1HB SER 59 16.869 4.958 3.507 459 HB3 SER 59 2HB SER 59 17.524 4.250 2.030 460 HG SER 59 HG SER 59 17.907 2.401 3.061 461 H GLN 60 H GLN 60 20.115 4.361 1.197 462 HA GLN 60 HA GLN 60 21.357 1.942 1.985 463 HB2 GLN 60 1HB GLN 60 20.730 2.539 -0.359 464 HB3 GLN 60 2HB GLN 60 22.058 3.692 -0.377 465 HG2 GLN 60 1HG GLN 60 22.752 1.689 -1.480 466 HG3 GLN 60 2HG GLN 60 23.628 1.834 0.043 467 HE21 GLN 60 2HE2 GLN 60 23.427 0.273 1.550 468 HE22 GLN 60 1HE2 GLN 60 22.456 -1.143 1.364 469 H ALA 61 H ALA 61 22.523 5.260 1.660 470 HA ALA 61 HA ALA 61 25.250 4.813 2.011 471 HB1 ALA 61 1HB ALA 61 23.887 6.989 1.479 472 HB2 ALA 61 2HB ALA 61 23.991 7.226 3.224 473 HB3 ALA 61 3HB ALA 61 25.464 7.082 2.264 474 H LYS 62 H LYS 62 22.725 5.397 4.440 475 HA LYS 62 HA LYS 62 24.500 5.244 6.662 476 HB2 LYS 62 1HB LYS 62 21.500 4.875 6.595 477 HB3 LYS 62 2HB LYS 62 22.472 5.193 8.026 478 HG2 LYS 62 1HG LYS 62 22.695 7.395 7.557 479 HG3 LYS 62 2HG LYS 62 22.688 7.138 5.810 480 HD2 LYS 62 1HD LYS 62 20.670 8.250 6.266 481 HD3 LYS 62 2HD LYS 62 20.218 6.555 6.077 482 HE2 LYS 62 1HE LYS 62 19.057 7.320 7.981 483 HE3 LYS 62 2HE LYS 62 20.407 6.367 8.595 484 HZ1 LYS 62 3HZ LYS 62 19.772 8.953 9.275 485 HZ2 LYS 62 1HZ LYS 62 21.138 9.095 8.286 486 HZ3 LYS 62 2HZ LYS 62 21.192 8.123 9.670 487 H LEU 63 H LEU 63 22.561 2.926 4.894 488 HA LEU 63 HA LEU 63 22.715 0.813 6.772 489 HB2 LEU 63 1HB LEU 63 21.159 1.068 4.758 490 HB3 LEU 63 2HB LEU 63 22.504 0.455 3.798 491 HG LEU 63 HG LEU 63 21.435 -1.099 6.131 492 HD11 LEU 63 1HD1 LEU 63 19.839 -0.372 4.010 493 HD12 LEU 63 2HD1 LEU 63 19.603 -1.772 5.056 494 HD13 LEU 63 3HD1 LEU 63 20.463 -1.950 3.527 495 HD21 LEU 63 3HD2 LEU 63 23.114 -2.422 5.522 496 HD22 LEU 63 1HD2 LEU 63 23.427 -1.464 4.075 497 HD23 LEU 63 2HD2 LEU 63 22.224 -2.753 4.035 498 H LEU 64 H LEU 64 24.603 1.520 3.838 499 HA LEU 64 HA LEU 64 26.388 -0.665 4.185 500 HB2 LEU 64 1HB LEU 64 27.567 0.182 2.349 501 HB3 LEU 64 2HB LEU 64 25.880 0.589 2.044 502 HG LEU 64 HG LEU 64 26.636 2.877 3.175 503 HD11 LEU 64 1HD1 LEU 64 28.830 2.923 3.562 504 HD12 LEU 64 2HD1 LEU 64 29.018 3.054 1.813 505 HD13 LEU 64 3HD1 LEU 64 29.118 1.476 2.595 506 HD21 LEU 64 3HD2 LEU 64 26.892 3.782 0.956 507 HD22 LEU 64 1HD2 LEU 64 25.640 2.539 0.935 508 HD23 LEU 64 2HD2 LEU 64 27.248 2.181 0.305 509 H LEU 65 H LEU 65 26.460 2.731 5.116 510 HA LEU 65 HA LEU 65 29.149 2.821 5.962 511 HB2 LEU 65 1HB LEU 65 26.711 4.451 6.525 512 HB3 LEU 65 2HB LEU 65 28.178 4.724 7.462 513 HG LEU 65 HG LEU 65 28.213 4.816 4.463 514 HD11 LEU 65 1HD1 LEU 65 28.163 7.434 5.265 515 HD12 LEU 65 2HD1 LEU 65 26.938 6.694 6.295 516 HD13 LEU 65 3HD1 LEU 65 26.816 6.555 4.541 517 HD21 LEU 65 3HD2 LEU 65 29.996 5.621 6.704 518 HD22 LEU 65 1HD2 LEU 65 30.019 6.582 5.225 519 HD23 LEU 65 2HD2 LEU 65 30.388 4.858 5.162 520 H SER 66 H SER 66 26.236 1.658 7.468 521 HA SER 66 HA SER 66 27.219 1.614 10.140 522 HB2 SER 66 1HB SER 66 24.833 1.585 9.763 523 HB3 SER 66 2HB SER 66 24.957 0.105 8.811 524 HG SER 66 HG SER 66 24.288 -0.329 10.946 525 H THR 67 H THR 67 27.790 -0.326 7.403 526 HA THR 67 HA THR 67 28.990 -2.419 9.099 527 HB THR 67 HB THR 67 27.109 -3.323 7.822 528 HG1 THR 67 HG1 THR 67 28.597 -4.881 8.007 529 HG21 THR 67 3HG2 THR 67 27.085 -3.356 5.414 530 HG22 THR 67 1HG2 THR 67 28.648 -2.543 5.345 531 HG23 THR 67 2HG2 THR 67 27.233 -1.683 5.951 532 H THR 68 H THR 68 29.745 0.163 7.290 533 HA THR 68 HA THR 68 32.338 -0.983 6.512 534 HB THR 68 HB THR 68 32.393 0.282 4.463 535 HG1 THR 68 HG1 THR 68 31.194 2.099 5.019 536 HG21 THR 68 3HG2 THR 68 31.313 -1.365 3.421 537 HG22 THR 68 1HG2 THR 68 29.756 -0.687 3.893 538 HG23 THR 68 2HG2 THR 68 30.584 -1.821 4.960 539 H ARG 69 H ARG 69 34.046 0.657 6.258 540 HA ARG 69 HA ARG 69 33.567 3.009 7.968 541 HB2 ARG 69 1HB ARG 69 35.875 2.789 8.785 542 HB3 ARG 69 2HB ARG 69 34.914 1.365 9.161 543 HG2 ARG 69 1HG ARG 69 36.519 1.352 6.663 544 HG3 ARG 69 2HG ARG 69 37.359 1.175 8.205 545 HD2 ARG 69 1HD ARG 69 35.478 -0.602 8.656 546 HD3 ARG 69 2HD ARG 69 35.379 -0.629 6.896 547 HE ARG 69 HE ARG 69 38.050 -0.920 7.930 548 HH11 ARG 69 2HH1 ARG 69 35.121 -2.566 7.018 549 HH12 ARG 69 1HH1 ARG 69 35.908 -4.084 6.737 550 HH21 ARG 69 2HH2 ARG 69 39.097 -2.913 7.563 551 HH22 ARG 69 1HH2 ARG 69 38.169 -4.281 7.048 552 H MET 70 H MET 70 33.671 2.473 4.953 553 HA MET 70 HA MET 70 35.952 3.715 3.882 554 HB2 MET 70 1HB MET 70 33.150 3.363 2.832 555 HB3 MET 70 2HB MET 70 34.409 4.151 1.891 556 HG2 MET 70 1HG MET 70 35.735 2.157 1.883 557 HG3 MET 70 2HG MET 70 34.623 1.362 2.994 558 HE1 MET 70 3HE MET 70 32.220 0.476 2.323 559 HE2 MET 70 1HE MET 70 31.805 2.152 1.961 560 HE3 MET 70 2HE MET 70 31.438 0.881 0.794 561 HA PRO 71 HA PRO 71 35.384 8.007 4.603 562 HB2 PRO 71 1HB PRO 71 36.358 9.081 2.307 563 HB3 PRO 71 2HB PRO 71 37.391 8.338 3.534 564 HG2 PRO 71 1HG PRO 71 36.367 7.183 0.970 565 HG3 PRO 71 2HG PRO 71 37.988 7.068 1.680 566 HD2 PRO 71 1HD PRO 71 36.173 5.066 1.859 567 HD3 PRO 71 2HD PRO 71 37.369 5.387 3.131 568 H ILE 72 H ILE 72 34.336 9.982 3.785 569 HA ILE 72 HA ILE 72 31.717 9.500 2.900 570 HB ILE 72 HB ILE 72 33.179 12.137 2.754 571 HG12 ILE 72 1HG1 ILE 72 33.432 11.214 4.989 572 HG13 ILE 72 2HG1 ILE 72 32.272 12.538 5.027 573 HG21 ILE 72 1HG2 ILE 72 31.232 13.040 2.177 574 HG22 ILE 72 2HG2 ILE 72 30.606 11.406 1.963 575 HG23 ILE 72 3HG2 ILE 72 30.400 12.234 3.506 576 HD11 ILE 72 3HD1 ILE 72 30.647 10.396 4.627 577 HD12 ILE 72 1HD1 ILE 72 31.918 9.705 5.635 578 HD13 ILE 72 2HD1 ILE 72 31.016 11.113 6.195 579 H ALA 73 H ALA 73 34.651 10.277 1.173 580 HA ALA 73 HA ALA 73 33.481 11.073 -1.272 581 HB1 ALA 73 1HB ALA 73 35.764 11.616 -0.861 582 HB2 ALA 73 2HB ALA 73 36.190 9.919 -0.642 583 HB3 ALA 73 3HB ALA 73 35.722 10.512 -2.236 584 H THR 74 H THR 74 34.696 7.931 -0.139 585 HA THR 74 HA THR 74 34.069 6.535 -2.530 586 HB THR 74 HB THR 74 34.486 5.471 0.270 587 HG1 THR 74 HG1 THR 74 36.555 4.860 -0.972 588 HG21 THR 74 3HG2 THR 74 33.293 3.834 -1.039 589 HG22 THR 74 1HG2 THR 74 34.975 3.327 -0.894 590 HG23 THR 74 2HG2 THR 74 34.400 4.053 -2.395 591 H VAL 75 H VAL 75 32.418 6.805 0.607 592 HA VAL 75 HA VAL 75 30.279 5.103 0.100 593 HB VAL 75 HB VAL 75 30.291 7.625 1.764 594 HG11 VAL 75 1HG1 VAL 75 28.020 6.940 1.239 595 HG12 VAL 75 2HG1 VAL 75 28.374 5.295 1.773 596 HG13 VAL 75 3HG1 VAL 75 28.381 6.622 2.936 597 HG21 VAL 75 3HG2 VAL 75 31.738 5.294 2.115 598 HG22 VAL 75 1HG2 VAL 75 31.373 6.495 3.354 599 HG23 VAL 75 2HG2 VAL 75 30.336 5.082 3.163 600 H GLY 76 H GLY 76 30.682 8.532 -0.677 601 HA2 GLY 76 1HA GLY 76 28.094 9.106 -1.534 602 HA3 GLY 76 2HA GLY 76 29.545 9.896 -2.130 603 H ARG 77 H ARG 77 30.794 7.697 -3.345 604 HA ARG 77 HA ARG 77 29.642 7.732 -5.882 605 HB2 ARG 77 1HB ARG 77 31.686 5.963 -4.577 606 HB3 ARG 77 2HB ARG 77 31.135 5.631 -6.214 607 HG2 ARG 77 1HG ARG 77 32.120 7.513 -7.077 608 HG3 ARG 77 2HG ARG 77 32.078 8.372 -5.536 609 HD2 ARG 77 1HD ARG 77 33.810 6.822 -4.679 610 HD3 ARG 77 2HD ARG 77 33.894 6.081 -6.277 611 HE ARG 77 HE ARG 77 34.328 8.734 -6.736 612 HH11 ARG 77 2HH1 ARG 77 35.795 6.320 -4.701 613 HH12 ARG 77 1HH1 ARG 77 37.368 7.044 -4.754 614 HH21 ARG 77 2HH2 ARG 77 36.395 9.697 -6.814 615 HH22 ARG 77 1HH2 ARG 77 37.708 8.965 -5.955 616 H ASN 78 H ASN 78 29.200 5.517 -3.201 617 HA ASN 78 HA ASN 78 27.893 3.450 -4.596 618 HB2 ASN 78 1HB ASN 78 27.646 4.307 -1.704 619 HB3 ASN 78 2HB ASN 78 27.011 2.800 -2.359 620 HD21 ASN 78 2HD2 ASN 78 29.159 3.535 -0.355 621 HD22 ASN 78 1HD2 ASN 78 30.527 2.603 -0.850 622 H VAL 79 H VAL 79 26.775 6.496 -3.296 623 HA VAL 79 HA VAL 79 23.996 5.819 -3.925 624 HB VAL 79 HB VAL 79 23.399 7.902 -2.788 625 HG11 VAL 79 1HG1 VAL 79 25.278 6.122 -1.241 626 HG12 VAL 79 2HG1 VAL 79 24.168 7.282 -0.510 627 HG13 VAL 79 3HG1 VAL 79 23.537 5.919 -1.434 628 HG21 VAL 79 3HG2 VAL 79 26.317 8.238 -2.127 629 HG22 VAL 79 1HG2 VAL 79 25.522 9.090 -3.451 630 HG23 VAL 79 2HG2 VAL 79 24.991 9.350 -1.789 631 H GLY 80 H GLY 80 26.300 6.534 -5.840 632 HA2 GLY 80 1HA GLY 80 26.327 7.479 -7.945 633 HA3 GLY 80 2HA GLY 80 24.678 8.022 -7.671 634 H PHE 81 H PHE 81 26.535 9.030 -5.114 635 HA PHE 81 HA PHE 81 26.498 11.759 -6.058 636 HB2 PHE 81 1HB PHE 81 27.039 10.412 -3.445 637 HB3 PHE 81 2HB PHE 81 27.627 12.054 -3.687 638 HD1 PHE 81 HD1 PHE 81 24.485 10.471 -4.885 639 HD2 PHE 81 HD2 PHE 81 26.280 13.375 -2.342 640 HE1 PHE 81 HE1 PHE 81 22.257 11.347 -4.318 641 HE2 PHE 81 HE2 PHE 81 24.055 14.255 -1.771 642 HZ PHE 81 HZ PHE 81 22.040 13.241 -2.759 643 H ASP 82 H ASP 82 28.097 12.610 -7.196 644 HA ASP 82 HA ASP 82 30.698 11.362 -7.286 645 HB2 ASP 82 1HB ASP 82 31.199 12.914 -9.051 646 HB3 ASP 82 2HB ASP 82 29.560 12.322 -9.304 647 H ASP 83 H ASP 83 29.237 14.191 -5.850 648 HA ASP 83 HA ASP 83 31.851 15.130 -4.915 649 HB2 ASP 83 1HB ASP 83 29.120 16.414 -4.955 650 HB3 ASP 83 2HB ASP 83 30.492 17.118 -4.103 651 H GLN 84 H GLN 84 32.534 14.514 -2.983 652 HA GLN 84 HA GLN 84 30.985 13.040 -1.162 653 HB2 GLN 84 1HB GLN 84 32.876 13.051 0.256 654 HB3 GLN 84 2HB GLN 84 33.516 13.072 -1.381 655 HG2 GLN 84 1HG GLN 84 33.228 15.477 0.404 656 HG3 GLN 84 2HG GLN 84 34.721 14.584 0.120 657 HE21 GLN 84 2HE2 GLN 84 34.697 14.149 -2.535 658 HE22 GLN 84 1HE2 GLN 84 34.734 15.645 -3.398 659 H LEU 85 H LEU 85 31.718 16.465 -1.389 660 HA LEU 85 HA LEU 85 30.719 17.178 1.173 661 HB2 LEU 85 1HB LEU 85 31.353 18.679 -1.335 662 HB3 LEU 85 2HB LEU 85 30.522 19.485 -0.006 663 HG LEU 85 HG LEU 85 33.080 18.056 0.551 664 HD11 LEU 85 1HD1 LEU 85 34.077 19.244 -1.081 665 HD12 LEU 85 2HD1 LEU 85 33.973 20.553 0.095 666 HD13 LEU 85 3HD1 LEU 85 32.764 20.418 -1.181 667 HD21 LEU 85 3HD2 LEU 85 31.671 19.051 2.342 668 HD22 LEU 85 1HD2 LEU 85 31.926 20.633 1.606 669 HD23 LEU 85 2HD2 LEU 85 33.296 19.731 2.254 670 H TYR 86 H TYR 86 29.279 16.876 -2.016 671 HA TYR 86 HA TYR 86 26.849 18.174 -1.525 672 HB2 TYR 86 1HB TYR 86 27.466 17.601 -3.777 673 HB3 TYR 86 2HB TYR 86 27.526 15.887 -3.381 674 HD1 TYR 86 HD1 TYR 86 24.900 18.336 -2.428 675 HD2 TYR 86 HD2 TYR 86 25.925 14.985 -4.840 676 HE1 TYR 86 HE1 TYR 86 22.544 18.105 -3.098 677 HE2 TYR 86 HE2 TYR 86 23.573 14.745 -5.518 678 HH TYR 86 HH TYR 86 21.317 15.372 -4.587 679 H PHE 87 H PHE 87 27.853 14.835 -0.960 680 HA PHE 87 HA PHE 87 25.313 13.865 -0.176 681 HB2 PHE 87 1HB PHE 87 26.998 12.290 -0.835 682 HB3 PHE 87 2HB PHE 87 28.111 12.880 0.396 683 HD1 PHE 87 HD2 PHE 87 24.606 11.592 0.268 684 HD2 PHE 87 HD1 PHE 87 28.405 11.491 2.185 685 HE1 PHE 87 HE2 PHE 87 23.766 9.891 1.835 686 HE2 PHE 87 HE1 PHE 87 27.571 9.790 3.756 687 HZ PHE 87 HZ PHE 87 25.249 8.989 3.582 688 H SER 88 H SER 88 28.086 15.078 1.677 689 HA SER 88 HA SER 88 26.943 14.677 4.228 690 HB2 SER 88 1HB SER 88 28.814 15.756 5.077 691 HB3 SER 88 2HB SER 88 29.414 15.219 3.508 692 HG SER 88 HG SER 88 29.261 17.251 2.738 693 H ARG 89 H ARG 89 26.861 17.371 1.964 694 HA ARG 89 HA ARG 89 25.724 19.289 3.675 695 HB2 ARG 89 1HB ARG 89 25.847 18.935 0.705 696 HB3 ARG 89 2HB ARG 89 24.811 20.185 1.382 697 HG2 ARG 89 1HG ARG 89 26.651 21.302 2.369 698 HG3 ARG 89 2HG ARG 89 27.733 19.947 2.040 699 HD2 ARG 89 1HD ARG 89 27.724 20.375 -0.280 700 HD3 ARG 89 2HD ARG 89 26.343 21.462 -0.151 701 HE ARG 89 HE ARG 89 29.081 22.145 0.174 702 HH11 ARG 89 2HH1 ARG 89 25.883 22.878 1.337 703 HH12 ARG 89 1HH1 ARG 89 26.281 24.500 1.799 704 HH21 ARG 89 2HH2 ARG 89 29.617 24.278 0.778 705 HH22 ARG 89 1HH2 ARG 89 28.405 25.296 1.480 706 H VAL 90 H VAL 90 24.185 17.089 1.335 707 HA VAL 90 HA VAL 90 21.532 17.856 2.023 708 HB VAL 90 HB VAL 90 22.513 15.364 0.624 709 HG11 VAL 90 1HG1 VAL 90 20.423 14.626 0.726 710 HG12 VAL 90 2HG1 VAL 90 19.917 16.081 1.586 711 HG13 VAL 90 3HG1 VAL 90 19.902 16.047 -0.178 712 HG21 VAL 90 3HG2 VAL 90 23.119 17.437 -0.532 713 HG22 VAL 90 1HG2 VAL 90 21.905 16.527 -1.430 714 HG23 VAL 90 2HG2 VAL 90 21.432 17.948 -0.499 715 H PHE 91 H PHE 91 23.574 15.083 2.885 716 HA PHE 91 HA PHE 91 21.676 13.712 4.430 717 HB2 PHE 91 1HB PHE 91 23.660 12.562 3.742 718 HB3 PHE 91 2HB PHE 91 24.693 13.744 4.538 719 HD1 PHE 91 HD2 PHE 91 24.971 13.730 6.953 720 HD2 PHE 91 HD1 PHE 91 22.571 10.818 4.984 721 HE1 PHE 91 HE2 PHE 91 25.001 12.338 8.982 722 HE2 PHE 91 HE1 PHE 91 22.597 9.422 7.010 723 HZ PHE 91 HZ PHE 91 23.814 10.180 9.012 724 H LYS 92 H LYS 92 23.894 16.318 5.219 725 HA LYS 92 HA LYS 92 23.741 16.256 7.999 726 HB2 LYS 92 1HB LYS 92 25.343 17.678 6.917 727 HB3 LYS 92 2HB LYS 92 24.073 18.577 6.098 728 HG2 LYS 92 1HG LYS 92 23.451 19.705 8.028 729 HG3 LYS 92 2HG LYS 92 24.213 18.515 9.085 730 HD2 LYS 92 1HD LYS 92 26.379 19.299 8.569 731 HD3 LYS 92 2HD LYS 92 25.795 20.234 7.190 732 HE2 LYS 92 1HE LYS 92 24.784 21.843 8.579 733 HE3 LYS 92 2HE LYS 92 24.899 20.807 10.001 734 HZ1 LYS 92 3HZ LYS 92 26.954 21.515 10.423 735 HZ2 LYS 92 1HZ LYS 92 26.646 22.770 9.331 736 HZ3 LYS 92 2HZ LYS 92 27.448 21.374 8.811 737 H LYS 93 H LYS 93 21.693 18.005 5.678 738 HA LYS 93 HA LYS 93 19.950 19.013 7.720 739 HB2 LYS 93 1HB LYS 93 19.940 19.037 4.722 740 HB3 LYS 93 2HB LYS 93 18.495 19.507 5.607 741 HG2 LYS 93 1HG LYS 93 19.513 21.534 5.296 742 HG3 LYS 93 2HG LYS 93 20.133 21.082 6.886 743 HD2 LYS 93 1HD LYS 93 22.098 21.664 5.889 744 HD3 LYS 93 2HD LYS 93 22.035 19.969 5.400 745 HE2 LYS 93 1HE LYS 93 22.589 21.262 3.473 746 HE3 LYS 93 2HE LYS 93 20.927 20.704 3.285 747 HZ1 LYS 93 3HZ LYS 93 21.521 23.364 4.421 748 HZ2 LYS 93 1HZ LYS 93 20.090 22.813 3.705 749 HZ3 LYS 93 2HZ LYS 93 21.447 23.129 2.747 750 H CYS 94 H CYS 94 20.107 16.157 5.772 751 HA CYS 94 HA CYS 94 17.437 15.351 5.777 752 HB2 CYS 94 1HB CYS 94 19.551 14.312 4.635 753 HB3 CYS 94 2HB CYS 94 19.649 13.354 6.107 754 HG CYS 94 HG CYS 94 17.485 13.132 3.549 755 H THR 95 H THR 95 20.012 14.614 8.119 756 HA THR 95 HA THR 95 17.954 13.655 9.989 757 HB THR 95 HB THR 95 19.852 12.646 11.252 758 HG1 THR 95 HG1 THR 95 21.810 13.198 10.700 759 HG21 THR 95 3HG2 THR 95 19.248 11.886 8.423 760 HG22 THR 95 1HG2 THR 95 18.788 11.078 9.921 761 HG23 THR 95 2HG2 THR 95 20.449 10.975 9.337 762 H GLY 96 H GLY 96 19.925 16.303 9.335 763 HA2 GLY 96 1HA GLY 96 19.783 18.328 10.554 764 HA3 GLY 96 2HA GLY 96 19.349 17.406 11.986 765 H ALA 97 H ALA 97 21.787 15.668 10.842 766 HA ALA 97 HA ALA 97 23.924 17.355 11.931 767 HB1 ALA 97 1HB ALA 97 23.922 14.499 12.739 768 HB2 ALA 97 2HB ALA 97 24.550 15.916 13.582 769 HB3 ALA 97 3HB ALA 97 22.816 15.593 13.570 770 H SER 98 H SER 98 26.005 16.871 11.184 771 HA SER 98 HA SER 98 26.150 15.860 8.554 772 HB2 SER 98 1HB SER 98 28.756 15.854 9.399 773 HB3 SER 98 2HB SER 98 27.905 17.269 8.779 774 HG SER 98 HG SER 98 29.003 17.109 11.081 775 HA PRO 99 HA PRO 99 26.939 11.568 8.993 776 HB2 PRO 99 1HB PRO 99 28.911 11.126 7.180 777 HB3 PRO 99 2HB PRO 99 27.242 11.477 6.717 778 HG2 PRO 99 1HG PRO 99 29.604 13.313 6.826 779 HG3 PRO 99 2HG PRO 99 28.345 13.183 5.585 780 HD2 PRO 99 1HD PRO 99 28.327 15.116 7.481 781 HD3 PRO 99 2HD PRO 99 26.837 14.427 6.806 782 H SER 100 H SER 100 29.783 13.652 9.137 783 HA SER 100 HA SER 100 31.555 11.723 10.213 784 HB2 SER 100 1HB SER 100 33.079 13.489 10.498 785 HB3 SER 100 2HB SER 100 32.097 14.009 9.129 786 HG SER 100 HG SER 100 31.509 15.664 10.264 787 H GLU 101 H GLU 101 29.254 13.951 11.640 788 HA GLU 101 HA GLU 101 30.154 13.582 14.330 789 HB2 GLU 101 1HB GLU 101 28.894 15.589 13.511 790 HB3 GLU 101 2HB GLU 101 27.462 14.578 13.388 791 HG2 GLU 101 1HG GLU 101 27.006 14.897 15.524 792 HG3 GLU 101 2HG GLU 101 28.588 14.276 15.989 793 H PHE 102 H PHE 102 27.420 12.334 12.434 794 HA PHE 102 HA PHE 102 26.262 10.779 14.453 795 HB2 PHE 102 1HB PHE 102 25.397 11.394 12.069 796 HB3 PHE 102 2HB PHE 102 26.214 9.913 11.581 797 HD1 PHE 102 HD2 PHE 102 23.484 11.319 13.588 798 HD2 PHE 102 HD1 PHE 102 25.353 7.764 12.178 799 HE1 PHE 102 HE2 PHE 102 21.523 10.012 14.294 800 HE2 PHE 102 HE1 PHE 102 23.394 6.452 12.881 801 HZ PHE 102 HZ PHE 102 21.476 7.575 13.942 802 H ARG 103 H ARG 103 28.678 9.932 11.995 803 HA ARG 103 HA ARG 103 28.919 7.217 12.619 804 HB2 ARG 103 1HB ARG 103 29.872 8.379 10.605 805 HB3 ARG 103 2HB ARG 103 31.139 9.018 11.643 806 HG2 ARG 103 1HG ARG 103 32.182 7.188 10.756 807 HG3 ARG 103 2HG ARG 103 31.512 6.501 12.237 808 HD2 ARG 103 1HD ARG 103 29.542 5.745 10.913 809 HD3 ARG 103 2HD ARG 103 30.365 6.302 9.457 810 HE ARG 103 HE ARG 103 31.713 4.449 9.545 811 HH11 ARG 103 2HH1 ARG 103 30.037 4.805 12.576 812 HH12 ARG 103 1HH1 ARG 103 30.542 3.264 13.185 813 HH21 ARG 103 2HH2 ARG 103 32.384 2.418 10.336 814 HH22 ARG 103 1HH2 ARG 103 31.878 1.907 11.910 815 H ALA 104 H ALA 104 30.541 10.050 13.968 816 HA ALA 104 HA ALA 104 32.366 8.629 15.601 817 HB1 ALA 104 1HB ALA 104 31.369 11.441 15.516 818 HB2 ALA 104 2HB ALA 104 32.321 10.894 16.897 819 HB3 ALA 104 3HB ALA 104 33.001 10.817 15.272 820 H GLY 105 H GLY 105 29.018 9.482 15.958 821 HA2 GLY 105 1HA GLY 105 27.538 8.485 17.481 822 HA3 GLY 105 2HA GLY 105 28.914 7.952 18.436 823 H CYS 106 H CYS 106 29.727 10.991 17.932 824 HA CYS 106 HA CYS 106 29.002 11.853 20.534 825 HB2 CYS 106 1HB CYS 106 31.060 12.570 19.302 826 HB3 CYS 106 2HB CYS 106 30.038 13.546 18.254 827 HG CYS 106 HG CYS 106 30.440 13.995 21.623 828 H GLU 107 H GLU 107 27.143 12.686 21.195 829 HA GLU 107 HA GLU 107 25.041 13.321 19.384 830 HB2 GLU 107 1HB GLU 107 23.788 13.970 21.402 831 HB3 GLU 107 2HB GLU 107 24.554 12.398 21.579 832 HG2 GLU 107 1HG GLU 107 26.411 13.539 22.806 833 HG3 GLU 107 2HG GLU 107 25.439 15.009 22.775 Start of MODEL 20 1 H1 MET 1 H MET 1 4.060 -2.303 -0.757 2 HA MET 1 HA MET 1 2.254 -0.040 -1.040 3 HB2 MET 1 1HB MET 1 3.413 0.614 -3.202 4 HB3 MET 1 2HB MET 1 4.248 1.043 -1.715 5 HG2 MET 1 1HG MET 1 4.932 -1.552 -2.964 6 HG3 MET 1 2HG MET 1 5.478 -0.085 -3.772 7 HE1 MET 1 3HE MET 1 7.760 1.588 -2.224 8 HE2 MET 1 1HE MET 1 6.022 1.881 -2.166 9 HE3 MET 1 2HE MET 1 6.942 1.738 -0.668 10 H ASP 2 H ASP 2 1.635 -0.060 -3.609 11 HA ASP 2 HA ASP 2 0.324 -2.597 -3.951 12 HB2 ASP 2 1HB ASP 2 -0.572 -0.221 -4.517 13 HB3 ASP 2 2HB ASP 2 0.333 -0.415 -6.015 14 H ASN 3 H ASN 3 0.555 -4.029 -5.690 15 HA ASN 3 HA ASN 3 3.142 -4.647 -6.474 16 HB2 ASN 3 1HB ASN 3 2.193 -6.284 -7.920 17 HB3 ASN 3 2HB ASN 3 1.105 -6.155 -6.541 18 HD21 ASN 3 2HD2 ASN 3 -0.920 -5.254 -6.810 19 HD22 ASN 3 1HD2 ASN 3 -1.617 -4.988 -8.368 20 H ARG 4 H ARG 4 0.770 -2.567 -7.992 21 HA ARG 4 HA ARG 4 2.115 -2.311 -10.487 22 HB2 ARG 4 1HB ARG 4 -0.132 -1.740 -10.611 23 HB3 ARG 4 2HB ARG 4 -0.090 -0.833 -9.105 24 HG2 ARG 4 1HG ARG 4 -0.365 0.651 -11.001 25 HG3 ARG 4 2HG ARG 4 1.184 0.938 -10.205 26 HD2 ARG 4 1HD ARG 4 1.594 0.960 -12.543 27 HD3 ARG 4 2HD ARG 4 2.230 -0.563 -11.925 28 HE ARG 4 HE ARG 4 -0.469 -0.701 -12.940 29 HH11 ARG 4 2HH1 ARG 4 2.922 -0.995 -13.671 30 HH12 ARG 4 1HH1 ARG 4 2.669 -1.999 -15.060 31 HH21 ARG 4 2HH2 ARG 4 -0.815 -2.022 -14.767 32 HH22 ARG 4 1HH2 ARG 4 0.543 -2.582 -15.683 33 H VAL 5 H VAL 5 2.033 -0.351 -7.533 34 HA VAL 5 HA VAL 5 3.736 1.698 -8.517 35 HB VAL 5 HB VAL 5 3.151 0.905 -5.661 36 HG11 VAL 5 1HG1 VAL 5 5.054 2.723 -6.708 37 HG12 VAL 5 2HG1 VAL 5 3.759 3.667 -5.968 38 HG13 VAL 5 3HG1 VAL 5 4.614 2.446 -5.023 39 HG21 VAL 5 3HG2 VAL 5 1.944 3.190 -7.194 40 HG22 VAL 5 1HG2 VAL 5 1.214 1.585 -7.171 41 HG23 VAL 5 2HG2 VAL 5 1.411 2.487 -5.668 42 H ARG 6 H ARG 6 4.293 -1.262 -6.672 43 HA ARG 6 HA ARG 6 6.957 -0.870 -5.975 44 HB2 ARG 6 1HB ARG 6 5.233 -2.817 -5.461 45 HB3 ARG 6 2HB ARG 6 6.062 -3.592 -6.805 46 HG2 ARG 6 1HG ARG 6 7.956 -3.923 -5.626 47 HG3 ARG 6 2HG ARG 6 7.786 -2.418 -4.722 48 HD2 ARG 6 1HD ARG 6 6.515 -3.378 -3.094 49 HD3 ARG 6 2HD ARG 6 5.803 -4.556 -4.195 50 HE ARG 6 HE ARG 6 7.520 -6.005 -3.717 51 HH11 ARG 6 2HH1 ARG 6 8.293 -2.835 -2.504 52 HH12 ARG 6 1HH1 ARG 6 9.678 -3.372 -1.612 53 HH21 ARG 6 2HH2 ARG 6 9.341 -6.724 -2.546 54 HH22 ARG 6 1HH2 ARG 6 10.274 -5.584 -1.638 55 H GLU 7 H GLU 7 5.533 -1.943 -9.001 56 HA GLU 7 HA GLU 7 7.877 -2.867 -10.248 57 HB2 GLU 7 1HB GLU 7 5.155 -2.146 -11.071 58 HB3 GLU 7 2HB GLU 7 6.365 -1.887 -12.320 59 HG2 GLU 7 1HG GLU 7 5.614 -4.051 -12.696 60 HG3 GLU 7 2HG GLU 7 7.130 -4.272 -11.823 61 H ALA 8 H ALA 8 6.394 0.339 -10.108 62 HA ALA 8 HA ALA 8 8.239 1.576 -11.885 63 HB1 ALA 8 1HB ALA 8 6.868 3.197 -9.812 64 HB2 ALA 8 2HB ALA 8 7.062 3.493 -11.541 65 HB3 ALA 8 3HB ALA 8 5.863 2.330 -10.974 66 H CYS 9 H CYS 9 8.121 1.114 -8.399 67 HA CYS 9 HA CYS 9 10.164 2.881 -7.663 68 HB2 CYS 9 1HB CYS 9 9.405 0.255 -6.365 69 HB3 CYS 9 2HB CYS 9 10.344 1.539 -5.613 70 HG CYS 9 HG CYS 9 8.296 2.632 -4.540 71 H GLN 10 H GLN 10 10.269 -0.429 -8.848 72 HA GLN 10 HA GLN 10 12.963 -0.979 -8.295 73 HB2 GLN 10 1HB GLN 10 11.394 -2.729 -8.930 74 HB3 GLN 10 2HB GLN 10 11.200 -2.010 -10.523 75 HG2 GLN 10 1HG GLN 10 12.658 -3.959 -10.583 76 HG3 GLN 10 2HG GLN 10 13.514 -2.492 -11.053 77 HE21 GLN 10 2HE2 GLN 10 15.545 -3.093 -10.518 78 HE22 GLN 10 1HE2 GLN 10 16.059 -3.449 -8.908 79 H TYR 11 H TYR 11 11.418 0.672 -10.987 80 HA TYR 11 HA TYR 11 13.705 0.800 -12.655 81 HB2 TYR 11 1HB TYR 11 11.564 1.133 -13.659 82 HB3 TYR 11 2HB TYR 11 11.173 2.441 -12.547 83 HD1 TYR 11 HD2 TYR 11 13.859 1.600 -15.016 84 HD2 TYR 11 HD1 TYR 11 11.271 4.571 -13.410 85 HE1 TYR 11 HE2 TYR 11 14.735 3.231 -16.636 86 HE2 TYR 11 HE1 TYR 11 12.138 6.210 -15.026 87 HH TYR 11 HH TYR 11 13.921 5.366 -17.720 88 H ILE 12 H ILE 12 12.311 3.044 -10.293 89 HA ILE 12 HA ILE 12 14.139 5.148 -10.715 90 HB ILE 12 HB ILE 12 12.605 4.462 -8.205 91 HG12 ILE 12 1HG1 ILE 12 11.926 6.429 -10.399 92 HG13 ILE 12 2HG1 ILE 12 11.226 4.819 -10.264 93 HG21 ILE 12 1HG2 ILE 12 13.942 7.030 -9.046 94 HG22 ILE 12 2HG2 ILE 12 12.916 6.829 -7.627 95 HG23 ILE 12 3HG2 ILE 12 14.450 5.966 -7.735 96 HD11 ILE 12 3HD1 ILE 12 10.974 7.018 -8.225 97 HD12 ILE 12 1HD1 ILE 12 9.738 6.535 -9.386 98 HD13 ILE 12 2HD1 ILE 12 10.247 5.415 -8.121 99 H SER 13 H SER 13 14.215 2.317 -8.625 100 HA SER 13 HA SER 13 16.470 3.073 -7.096 101 HB2 SER 13 1HB SER 13 14.740 1.177 -6.679 102 HB3 SER 13 2HB SER 13 15.798 0.206 -7.703 103 HG SER 13 HG SER 13 16.163 1.091 -5.126 104 H ASP 14 H ASP 14 16.121 1.125 -10.036 105 HA ASP 14 HA ASP 14 18.869 0.480 -10.282 106 HB2 ASP 14 1HB ASP 14 16.452 0.259 -11.981 107 HB3 ASP 14 2HB ASP 14 17.995 0.287 -12.830 108 H HIS 15 H HIS 15 17.001 3.271 -11.107 109 HA HIS 15 HA HIS 15 19.188 4.359 -12.728 110 HB2 HIS 15 1HB HIS 15 16.276 4.897 -12.518 111 HB3 HIS 15 2HB HIS 15 17.311 6.276 -12.877 112 HD1 HIS 15 HD1 HIS 15 17.565 6.662 -15.294 113 HD2 HIS 15 HD2 HIS 15 16.992 2.637 -14.439 114 HE1 HIS 15 HE1 HIS 15 17.551 5.496 -17.523 115 H LEU 16 H LEU 16 18.971 4.071 -9.683 116 HA LEU 16 HA LEU 16 18.769 6.641 -8.551 117 HB2 LEU 16 1HB LEU 16 18.757 4.368 -7.392 118 HB3 LEU 16 2HB LEU 16 20.515 4.439 -7.488 119 HG LEU 16 HG LEU 16 19.163 6.762 -6.249 120 HD11 LEU 16 1HD1 LEU 16 18.376 5.759 -4.391 121 HD12 LEU 16 2HD1 LEU 16 19.599 4.489 -4.424 122 HD13 LEU 16 3HD1 LEU 16 18.187 4.380 -5.475 123 HD21 LEU 16 3HD2 LEU 16 21.756 5.760 -6.475 124 HD22 LEU 16 1HD2 LEU 16 21.305 5.501 -4.790 125 HD23 LEU 16 2HD2 LEU 16 21.220 7.119 -5.486 126 H ALA 17 H ALA 17 21.326 5.035 -10.252 127 HA ALA 17 HA ALA 17 23.324 6.978 -9.407 128 HB1 ALA 17 1HB ALA 17 24.362 5.383 -11.474 129 HB2 ALA 17 2HB ALA 17 24.682 5.256 -9.744 130 HB3 ALA 17 3HB ALA 17 23.377 4.318 -10.470 131 H ASP 18 H ASP 18 21.102 6.464 -11.974 132 HA ASP 18 HA ASP 18 22.404 7.802 -14.073 133 HB2 ASP 18 1HB ASP 18 19.576 7.112 -13.430 134 HB3 ASP 18 2HB ASP 18 19.864 8.309 -14.690 135 H SER 19 H SER 19 22.428 9.920 -14.737 136 HA SER 19 HA SER 19 22.089 11.891 -12.662 137 HB2 SER 19 1HB SER 19 23.950 11.773 -14.477 138 HB3 SER 19 2HB SER 19 22.757 12.548 -15.519 139 HG SER 19 HG SER 19 23.877 13.523 -13.110 140 H ASN 20 H ASN 20 20.687 11.313 -15.878 141 HA ASN 20 HA ASN 20 18.735 13.416 -15.503 142 HB2 ASN 20 1HB ASN 20 19.136 11.408 -17.730 143 HB3 ASN 20 2HB ASN 20 17.908 12.671 -17.745 144 HD21 ASN 20 2HD2 ASN 20 19.910 12.391 -19.679 145 HD22 ASN 20 1HD2 ASN 20 20.945 13.772 -19.594 146 H PHE 21 H PHE 21 17.336 12.870 -13.893 147 HA PHE 21 HA PHE 21 15.919 10.304 -14.134 148 HB2 PHE 21 1HB PHE 21 16.976 10.547 -11.982 149 HB3 PHE 21 2HB PHE 21 16.282 12.150 -11.769 150 HD1 PHE 21 HD2 PHE 21 14.773 8.915 -12.839 151 HD2 PHE 21 HD1 PHE 21 14.832 12.073 -9.987 152 HE1 PHE 21 HE2 PHE 21 12.833 7.918 -11.700 153 HE2 PHE 21 HE1 PHE 21 12.893 11.081 -8.843 154 HZ PHE 21 HZ PHE 21 11.890 9.002 -9.700 155 H ASP 22 H ASP 22 14.112 10.531 -15.281 156 HA ASP 22 HA ASP 22 12.420 12.888 -14.760 157 HB2 ASP 22 1HB ASP 22 11.768 12.961 -16.991 158 HB3 ASP 22 2HB ASP 22 13.464 12.502 -17.116 159 H ILE 23 H ILE 23 10.385 12.564 -14.083 160 HA ILE 23 HA ILE 23 9.578 9.979 -13.226 161 HB ILE 23 HB ILE 23 8.910 12.120 -12.116 162 HG12 ILE 23 1HG1 ILE 23 6.640 10.307 -12.966 163 HG13 ILE 23 2HG1 ILE 23 7.762 9.991 -11.647 164 HG21 ILE 23 1HG2 ILE 23 7.387 13.591 -13.016 165 HG22 ILE 23 2HG2 ILE 23 8.285 13.106 -14.453 166 HG23 ILE 23 3HG2 ILE 23 6.711 12.388 -14.113 167 HD11 ILE 23 3HD1 ILE 23 5.394 11.692 -11.738 168 HD12 ILE 23 1HD1 ILE 23 6.183 10.907 -10.370 169 HD13 ILE 23 2HD1 ILE 23 6.797 12.445 -10.979 170 H ALA 24 H ALA 24 9.131 11.766 -16.141 171 HA ALA 24 HA ALA 24 6.756 10.657 -17.110 172 HB1 ALA 24 1HB ALA 24 7.313 12.277 -18.551 173 HB2 ALA 24 2HB ALA 24 9.039 12.099 -18.234 174 HB3 ALA 24 3HB ALA 24 8.236 11.020 -19.375 175 H SER 25 H SER 25 10.087 9.484 -17.289 176 HA SER 25 HA SER 25 9.508 7.261 -18.964 177 HB2 SER 25 1HB SER 25 11.782 8.260 -18.682 178 HB3 SER 25 2HB SER 25 11.832 7.590 -17.052 179 HG SER 25 HG SER 25 12.328 6.378 -19.413 180 H VAL 26 H VAL 26 9.391 7.814 -15.528 181 HA VAL 26 HA VAL 26 9.354 5.103 -14.699 182 HB VAL 26 HB VAL 26 8.222 7.544 -13.324 183 HG11 VAL 26 1HG1 VAL 26 7.283 6.062 -11.943 184 HG12 VAL 26 2HG1 VAL 26 8.187 4.715 -12.636 185 HG13 VAL 26 3HG1 VAL 26 8.920 5.720 -11.385 186 HG21 VAL 26 3HG2 VAL 26 10.730 6.234 -12.442 187 HG22 VAL 26 1HG2 VAL 26 10.794 7.190 -13.922 188 HG23 VAL 26 2HG2 VAL 26 10.269 7.936 -12.413 189 H ALA 27 H ALA 27 6.765 7.456 -15.323 190 HA ALA 27 HA ALA 27 4.616 5.759 -14.682 191 HB1 ALA 27 1HB ALA 27 4.894 8.397 -15.429 192 HB2 ALA 27 2HB ALA 27 4.006 7.681 -16.775 193 HB3 ALA 27 3HB ALA 27 3.373 7.554 -15.134 194 H GLN 28 H GLN 28 6.328 6.353 -17.715 195 HA GLN 28 HA GLN 28 4.610 4.875 -19.388 196 HB2 GLN 28 1HB GLN 28 6.237 6.451 -20.285 197 HB3 GLN 28 2HB GLN 28 7.561 5.467 -19.675 198 HG2 GLN 28 1HG GLN 28 7.119 3.740 -21.222 199 HG3 GLN 28 2HG GLN 28 5.565 4.442 -21.668 200 HE21 GLN 28 2HE2 GLN 28 9.045 4.990 -21.764 201 HE22 GLN 28 1HE2 GLN 28 9.038 5.946 -23.203 202 H HIS 29 H HIS 29 7.380 3.956 -17.422 203 HA HIS 29 HA HIS 29 7.814 1.386 -18.417 204 HB2 HIS 29 1HB HIS 29 9.429 2.289 -16.928 205 HB3 HIS 29 2HB HIS 29 8.224 2.574 -15.676 206 HD1 HIS 29 HD1 HIS 29 8.733 -0.678 -17.544 207 HD2 HIS 29 HD2 HIS 29 9.201 0.913 -13.734 208 HE1 HIS 29 HE1 HIS 29 9.318 -2.628 -16.068 209 H VAL 30 H VAL 30 5.435 2.589 -16.137 210 HA VAL 30 HA VAL 30 4.421 -0.123 -15.693 211 HB VAL 30 HB VAL 30 2.960 0.913 -13.987 212 HG11 VAL 30 1HG1 VAL 30 5.315 1.987 -12.872 213 HG12 VAL 30 2HG1 VAL 30 4.634 0.377 -12.630 214 HG13 VAL 30 3HG1 VAL 30 5.806 0.656 -13.918 215 HG21 VAL 30 3HG2 VAL 30 3.080 3.196 -13.412 216 HG22 VAL 30 1HG2 VAL 30 4.505 3.456 -14.420 217 HG23 VAL 30 2HG2 VAL 30 2.936 3.162 -15.169 218 H CYS 31 H CYS 31 4.108 1.737 -18.145 219 HA CYS 31 HA CYS 31 2.509 2.283 -19.673 220 HB2 CYS 31 1HB CYS 31 1.251 -0.147 -18.393 221 HB3 CYS 31 2HB CYS 31 0.620 0.620 -19.846 222 HG CYS 31 HG CYS 31 3.871 -0.315 -19.877 223 H LEU 32 H LEU 32 2.376 3.728 -17.230 224 HA LEU 32 HA LEU 32 -0.472 4.435 -17.257 225 HB2 LEU 32 1HB LEU 32 0.536 3.061 -15.188 226 HB3 LEU 32 2HB LEU 32 0.950 4.696 -14.676 227 HG LEU 32 HG LEU 32 -1.431 5.319 -14.826 228 HD11 LEU 32 1HD1 LEU 32 -2.537 2.673 -14.829 229 HD12 LEU 32 2HD1 LEU 32 -1.629 2.952 -16.315 230 HD13 LEU 32 3HD1 LEU 32 -2.929 4.052 -15.857 231 HD21 LEU 32 3HD2 LEU 32 -0.516 4.612 -12.695 232 HD22 LEU 32 1HD2 LEU 32 -0.831 2.923 -13.094 233 HD23 LEU 32 2HD2 LEU 32 -2.176 4.040 -12.862 234 H SER 33 H SER 33 -0.863 6.624 -16.322 235 HA SER 33 HA SER 33 1.078 8.469 -17.401 236 HB2 SER 33 1HB SER 33 -1.722 8.651 -16.395 237 HB3 SER 33 2HB SER 33 -0.748 10.121 -16.380 238 HG SER 33 HG SER 33 -1.913 9.821 -18.350 239 HA PRO 34 HA PRO 34 3.123 9.695 -13.720 240 HB2 PRO 34 1HB PRO 34 3.383 12.375 -14.068 241 HB3 PRO 34 2HB PRO 34 4.312 11.191 -14.995 242 HG2 PRO 34 1HG PRO 34 1.842 12.691 -15.775 243 HG3 PRO 34 2HG PRO 34 3.298 12.360 -16.731 244 HD2 PRO 34 1HD PRO 34 1.015 10.931 -17.010 245 HD3 PRO 34 2HD PRO 34 2.623 10.217 -17.248 246 H SER 35 H SER 35 0.331 11.722 -14.561 247 HA SER 35 HA SER 35 -0.028 12.857 -12.005 248 HB2 SER 35 1HB SER 35 -1.069 13.498 -14.323 249 HB3 SER 35 2HB SER 35 -2.342 12.373 -13.852 250 HG SER 35 HG SER 35 -2.478 14.740 -13.234 251 H ARG 36 H ARG 36 -1.525 10.040 -13.566 252 HA ARG 36 HA ARG 36 -3.147 9.371 -11.322 253 HB2 ARG 36 1HB ARG 36 -3.727 8.670 -13.600 254 HB3 ARG 36 2HB ARG 36 -2.277 7.676 -13.670 255 HG2 ARG 36 1HG ARG 36 -4.165 6.271 -13.238 256 HG3 ARG 36 2HG ARG 36 -3.162 6.334 -11.787 257 HD2 ARG 36 1HD ARG 36 -4.682 7.653 -10.639 258 HD3 ARG 36 2HD ARG 36 -5.446 8.234 -12.118 259 HE ARG 36 HE ARG 36 -5.921 5.520 -12.033 260 HH11 ARG 36 2HH1 ARG 36 -6.629 8.287 -10.043 261 HH12 ARG 36 1HH1 ARG 36 -8.101 7.623 -9.416 262 HH21 ARG 36 2HH2 ARG 36 -7.857 4.635 -11.214 263 HH22 ARG 36 1HH2 ARG 36 -8.798 5.545 -10.082 264 H LEU 37 H LEU 37 0.054 8.437 -12.422 265 HA LEU 37 HA LEU 37 0.406 6.270 -10.626 266 HB2 LEU 37 1HB LEU 37 1.799 6.371 -12.538 267 HB3 LEU 37 2HB LEU 37 2.330 8.006 -12.150 268 HG LEU 37 HG LEU 37 3.402 6.938 -10.067 269 HD11 LEU 37 1HD1 LEU 37 4.120 4.544 -10.619 270 HD12 LEU 37 2HD1 LEU 37 2.745 4.526 -11.723 271 HD13 LEU 37 3HD1 LEU 37 2.488 4.791 -9.999 272 HD21 LEU 37 3HD2 LEU 37 4.561 7.826 -12.115 273 HD22 LEU 37 1HD2 LEU 37 4.568 6.175 -12.735 274 HD23 LEU 37 2HD2 LEU 37 5.428 6.561 -11.244 275 H SER 38 H SER 38 1.311 9.695 -10.494 276 HA SER 38 HA SER 38 2.726 9.629 -8.083 277 HB2 SER 38 1HB SER 38 1.107 11.858 -9.334 278 HB3 SER 38 2HB SER 38 2.176 12.073 -7.948 279 HG SER 38 HG SER 38 2.931 12.373 -10.320 280 H HIS 39 H HIS 39 -0.723 10.007 -8.732 281 HA HIS 39 HA HIS 39 -1.566 10.656 -6.145 282 HB2 HIS 39 1HB HIS 39 -2.995 10.808 -8.165 283 HB3 HIS 39 2HB HIS 39 -3.070 9.050 -8.222 284 HD1 HIS 39 HD1 HIS 39 -4.810 11.920 -6.898 285 HD2 HIS 39 HD2 HIS 39 -4.345 7.944 -5.786 286 HE1 HIS 39 HE1 HIS 39 -6.678 11.451 -5.281 287 H LEU 40 H LEU 40 -1.302 7.478 -7.721 288 HA LEU 40 HA LEU 40 -2.098 6.026 -5.402 289 HB2 LEU 40 1HB LEU 40 -1.016 5.369 -8.083 290 HB3 LEU 40 2HB LEU 40 -0.835 4.155 -6.817 291 HG LEU 40 HG LEU 40 -3.454 5.339 -7.737 292 HD11 LEU 40 1HD1 LEU 40 -3.840 3.083 -8.675 293 HD12 LEU 40 2HD1 LEU 40 -2.164 2.676 -8.307 294 HD13 LEU 40 3HD1 LEU 40 -2.526 3.952 -9.469 295 HD21 LEU 40 3HD2 LEU 40 -4.202 3.184 -6.434 296 HD22 LEU 40 1HD2 LEU 40 -3.910 4.702 -5.584 297 HD23 LEU 40 2HD2 LEU 40 -2.680 3.438 -5.578 298 H PHE 41 H PHE 41 0.958 7.124 -6.696 299 HA PHE 41 HA PHE 41 2.688 5.500 -5.202 300 HB2 PHE 41 1HB PHE 41 3.000 7.478 -7.083 301 HB3 PHE 41 2HB PHE 41 3.633 8.245 -5.630 302 HD1 PHE 41 HD1 PHE 41 4.042 5.450 -7.974 303 HD2 PHE 41 HD2 PHE 41 5.674 7.517 -4.630 304 HE1 PHE 41 HE1 PHE 41 6.167 4.244 -8.270 305 HE2 PHE 41 HE2 PHE 41 7.801 6.315 -4.921 306 HZ PHE 41 HZ PHE 41 8.050 4.677 -6.743 307 H ARG 42 H ARG 42 1.449 8.764 -4.509 308 HA ARG 42 HA ARG 42 2.679 8.934 -1.952 309 HB2 ARG 42 1HB ARG 42 2.076 10.948 -3.156 310 HB3 ARG 42 2HB ARG 42 0.381 10.479 -3.161 311 HG2 ARG 42 1HG ARG 42 0.086 11.003 -0.943 312 HG3 ARG 42 2HG ARG 42 1.798 10.807 -0.560 313 HD2 ARG 42 1HD ARG 42 2.340 12.861 -1.680 314 HD3 ARG 42 2HD ARG 42 0.689 13.022 -2.277 315 HE ARG 42 HE ARG 42 0.459 12.932 0.453 316 HH11 ARG 42 2HH1 ARG 42 2.140 14.932 -1.848 317 HH12 ARG 42 1HH1 ARG 42 2.076 16.352 -0.857 318 HH21 ARG 42 2HH2 ARG 42 0.368 14.795 1.767 319 HH22 ARG 42 1HH2 ARG 42 1.069 16.273 1.199 320 H GLN 43 H GLN 43 -0.242 7.513 -3.115 321 HA GLN 43 HA GLN 43 -1.576 7.452 -0.568 322 HB2 GLN 43 1HB GLN 43 -2.716 7.435 -2.833 323 HB3 GLN 43 2HB GLN 43 -2.200 5.760 -2.987 324 HG2 GLN 43 1HG GLN 43 -4.330 5.514 -2.183 325 HG3 GLN 43 2HG GLN 43 -3.386 5.465 -0.694 326 HE21 GLN 43 2HE2 GLN 43 -6.106 6.088 -0.791 327 HE22 GLN 43 1HE2 GLN 43 -6.311 7.732 -0.300 328 H GLN 44 H GLN 44 0.224 5.140 -2.559 329 HA GLN 44 HA GLN 44 -0.065 3.033 -0.609 330 HB2 GLN 44 1HB GLN 44 1.504 3.252 -3.177 331 HB3 GLN 44 2HB GLN 44 1.542 1.825 -2.149 332 HG2 GLN 44 1HG GLN 44 -1.020 2.944 -3.235 333 HG3 GLN 44 2HG GLN 44 -0.036 1.787 -4.131 334 HE21 GLN 44 2HE2 GLN 44 -2.637 1.236 -3.411 335 HE22 GLN 44 1HE2 GLN 44 -2.648 -0.024 -2.230 336 H LEU 45 H LEU 45 2.471 5.244 -1.683 337 HA LEU 45 HA LEU 45 4.365 4.149 0.227 338 HB2 LEU 45 1HB LEU 45 4.602 5.431 -2.213 339 HB3 LEU 45 2HB LEU 45 5.119 6.649 -1.049 340 HG LEU 45 HG LEU 45 6.288 3.895 -0.964 341 HD11 LEU 45 1HD1 LEU 45 6.363 5.074 -3.308 342 HD12 LEU 45 2HD1 LEU 45 7.792 4.282 -2.645 343 HD13 LEU 45 3HD1 LEU 45 7.628 6.034 -2.542 344 HD21 LEU 45 3HD2 LEU 45 6.632 5.642 0.837 345 HD22 LEU 45 1HD2 LEU 45 7.543 6.561 -0.362 346 HD23 LEU 45 2HD2 LEU 45 8.093 4.957 0.124 347 H GLY 46 H GLY 46 1.947 6.522 0.166 348 HA2 GLY 46 1HA GLY 46 1.235 7.977 1.802 349 HA3 GLY 46 2HA GLY 46 2.473 7.306 2.854 350 H ILE 47 H ILE 47 3.929 8.285 0.038 351 HA ILE 47 HA ILE 47 4.239 11.076 0.783 352 HB ILE 47 HB ILE 47 6.672 10.982 0.904 353 HG12 ILE 47 1HG1 ILE 47 6.304 7.983 0.721 354 HG13 ILE 47 2HG1 ILE 47 7.043 9.012 -0.502 355 HG21 ILE 47 1HG2 ILE 47 6.882 9.979 3.093 356 HG22 ILE 47 2HG2 ILE 47 5.322 10.790 2.960 357 HG23 ILE 47 3HG2 ILE 47 5.416 9.034 2.832 358 HD11 ILE 47 3HD1 ILE 47 8.095 8.433 2.255 359 HD12 ILE 47 1HD1 ILE 47 8.760 7.882 0.718 360 HD13 ILE 47 2HD1 ILE 47 8.806 9.595 1.135 361 H SER 48 H SER 48 5.583 12.271 -0.803 362 HA SER 48 HA SER 48 4.849 11.516 -3.463 363 HB2 SER 48 1HB SER 48 4.816 13.801 -3.324 364 HB3 SER 48 2HB SER 48 6.152 13.857 -2.174 365 HG SER 48 HG SER 48 6.250 14.298 -4.764 366 H VAL 49 H VAL 49 6.176 10.958 -5.185 367 HA VAL 49 HA VAL 49 8.259 9.194 -4.710 368 HB VAL 49 HB VAL 49 7.151 9.118 -6.820 369 HG11 VAL 49 1HG1 VAL 49 7.436 11.950 -6.728 370 HG12 VAL 49 2HG1 VAL 49 8.150 11.359 -8.230 371 HG13 VAL 49 3HG1 VAL 49 6.475 10.971 -7.836 372 HG21 VAL 49 3HG2 VAL 49 8.979 8.901 -8.304 373 HG22 VAL 49 1HG2 VAL 49 9.912 10.131 -7.452 374 HG23 VAL 49 2HG2 VAL 49 9.620 8.565 -6.696 375 H LEU 50 H LEU 50 8.329 12.665 -5.174 376 HA LEU 50 HA LEU 50 11.085 12.973 -5.639 377 HB2 LEU 50 1HB LEU 50 8.910 14.636 -5.506 378 HB3 LEU 50 2HB LEU 50 9.836 15.108 -4.082 379 HG LEU 50 HG LEU 50 11.770 15.593 -5.494 380 HD11 LEU 50 1HD1 LEU 50 11.396 15.660 -7.982 381 HD12 LEU 50 2HD1 LEU 50 9.953 14.683 -7.711 382 HD13 LEU 50 3HD1 LEU 50 11.540 14.051 -7.275 383 HD21 LEU 50 3HD2 LEU 50 10.762 17.591 -5.334 384 HD22 LEU 50 1HD2 LEU 50 9.177 16.936 -5.747 385 HD23 LEU 50 2HD2 LEU 50 10.331 17.324 -7.024 386 H SER 51 H SER 51 9.199 13.037 -2.632 387 HA SER 51 HA SER 51 11.470 13.498 -0.965 388 HB2 SER 51 1HB SER 51 8.799 12.353 -0.128 389 HB3 SER 51 2HB SER 51 9.966 13.203 0.885 390 HG SER 51 HG SER 51 8.044 14.396 -0.024 391 H TRP 52 H TRP 52 9.666 10.647 -1.984 392 HA TRP 52 HA TRP 52 10.799 8.768 -0.259 393 HB2 TRP 52 1HB TRP 52 8.872 8.211 -1.612 394 HB3 TRP 52 2HB TRP 52 9.796 8.444 -3.093 395 HD1 TRP 52 HD1 TRP 52 10.030 6.150 0.041 396 HE1 TRP 52 HE1 TRP 52 10.780 3.818 -0.749 397 HE3 TRP 52 HE3 TRP 52 10.584 7.122 -4.947 398 HZ2 TRP 52 HZ2 TRP 52 11.510 2.557 -3.167 399 HZ3 TRP 52 HZ3 TRP 52 11.312 5.299 -6.430 400 HH2 TRP 52 HH2 TRP 52 11.765 3.065 -5.557 401 H ARG 53 H ARG 53 11.927 10.000 -3.372 402 HA ARG 53 HA ARG 53 14.088 8.223 -3.696 403 HB2 ARG 53 1HB ARG 53 13.116 10.661 -4.955 404 HB3 ARG 53 2HB ARG 53 14.872 10.596 -4.910 405 HG2 ARG 53 1HG ARG 53 14.195 8.071 -5.743 406 HG3 ARG 53 2HG ARG 53 12.985 9.088 -6.528 407 HD2 ARG 53 1HD ARG 53 14.870 8.883 -7.994 408 HD3 ARG 53 2HD ARG 53 14.830 10.530 -7.365 409 HE ARG 53 HE ARG 53 16.493 9.292 -5.650 410 HH11 ARG 53 2HH1 ARG 53 16.368 9.424 -9.127 411 HH12 ARG 53 1HH1 ARG 53 18.081 9.258 -9.325 412 HH21 ARG 53 2HH2 ARG 53 18.750 9.072 -5.898 413 HH22 ARG 53 1HH2 ARG 53 19.435 9.056 -7.488 414 H GLU 54 H GLU 54 13.922 11.483 -2.289 415 HA GLU 54 HA GLU 54 16.654 11.710 -1.666 416 HB2 GLU 54 1HB GLU 54 14.964 13.576 -1.696 417 HB3 GLU 54 2HB GLU 54 14.368 12.978 -0.155 418 HG2 GLU 54 1HG GLU 54 16.354 13.530 0.957 419 HG3 GLU 54 2HG GLU 54 17.242 13.729 -0.553 420 H ASP 55 H ASP 55 13.902 10.593 0.277 421 HA ASP 55 HA ASP 55 15.300 10.135 2.661 422 HB2 ASP 55 1HB ASP 55 12.698 9.985 1.950 423 HB3 ASP 55 2HB ASP 55 13.094 8.270 2.007 424 H GLN 56 H GLN 56 14.725 8.048 -0.134 425 HA GLN 56 HA GLN 56 15.919 5.732 1.005 426 HB2 GLN 56 1HB GLN 56 15.006 6.554 -1.707 427 HB3 GLN 56 2HB GLN 56 16.122 5.200 -1.596 428 HG2 GLN 56 1HG GLN 56 13.426 5.422 -0.280 429 HG3 GLN 56 2HG GLN 56 13.857 4.394 -1.645 430 HE21 GLN 56 2HE2 GLN 56 15.944 3.046 -1.076 431 HE22 GLN 56 1HE2 GLN 56 15.833 2.179 0.414 432 H ARG 57 H ARG 57 17.117 8.423 -0.903 433 HA ARG 57 HA ARG 57 19.596 7.396 -1.662 434 HB2 ARG 57 1HB ARG 57 18.559 10.162 -1.164 435 HB3 ARG 57 2HB ARG 57 20.273 9.921 -1.478 436 HG2 ARG 57 1HG ARG 57 19.940 9.349 -3.654 437 HG3 ARG 57 2HG ARG 57 18.340 8.671 -3.346 438 HD2 ARG 57 1HD ARG 57 18.444 10.842 -4.671 439 HD3 ARG 57 2HD ARG 57 17.330 10.787 -3.306 440 HE ARG 57 HE ARG 57 19.915 11.837 -2.630 441 HH11 ARG 57 2HH1 ARG 57 16.770 12.600 -3.914 442 HH12 ARG 57 1HH1 ARG 57 16.855 14.275 -3.480 443 HH21 ARG 57 2HH2 ARG 57 20.039 14.041 -2.054 444 HH22 ARG 57 1HH2 ARG 57 18.716 15.094 -2.423 445 H ILE 58 H ILE 58 18.685 9.180 1.273 446 HA ILE 58 HA ILE 58 21.304 9.061 2.408 447 HB ILE 58 HB ILE 58 18.658 9.616 3.756 448 HG12 ILE 58 1HG1 ILE 58 19.179 11.202 1.945 449 HG13 ILE 58 2HG1 ILE 58 19.263 11.976 3.524 450 HG21 ILE 58 1HG2 ILE 58 20.742 10.920 5.088 451 HG22 ILE 58 2HG2 ILE 58 19.800 9.544 5.659 452 HG23 ILE 58 3HG2 ILE 58 21.315 9.278 4.797 453 HD11 ILE 58 3HD1 ILE 58 21.592 11.048 1.862 454 HD12 ILE 58 1HD1 ILE 58 21.083 12.715 2.130 455 HD13 ILE 58 2HD1 ILE 58 21.708 11.757 3.473 456 H SER 59 H SER 59 18.290 7.264 2.937 457 HA SER 59 HA SER 59 19.153 5.660 5.052 458 HB2 SER 59 1HB SER 59 17.127 5.126 2.872 459 HB3 SER 59 2HB SER 59 17.365 4.061 4.257 460 HG SER 59 HG SER 59 15.681 5.786 4.387 461 H GLN 60 H GLN 60 19.638 5.361 1.595 462 HA GLN 60 HA GLN 60 20.612 2.691 1.630 463 HB2 GLN 60 1HB GLN 60 19.755 3.693 -0.418 464 HB3 GLN 60 2HB GLN 60 21.024 4.910 -0.381 465 HG2 GLN 60 1HG GLN 60 21.627 3.272 -1.991 466 HG3 GLN 60 2HG GLN 60 22.694 3.080 -0.601 467 HE21 GLN 60 2HE2 GLN 60 22.702 1.197 0.503 468 HE22 GLN 60 1HE2 GLN 60 21.741 -0.177 0.086 469 H ALA 61 H ALA 61 22.194 5.864 1.664 470 HA ALA 61 HA ALA 61 24.843 4.823 1.664 471 HB1 ALA 61 1HB ALA 61 23.740 7.300 1.290 472 HB2 ALA 61 2HB ALA 61 24.520 7.465 2.864 473 HB3 ALA 61 3HB ALA 61 25.462 6.962 1.460 474 H LYS 62 H LYS 62 22.572 5.777 4.179 475 HA LYS 62 HA LYS 62 24.438 5.587 6.327 476 HB2 LYS 62 1HB LYS 62 21.829 6.515 6.013 477 HB3 LYS 62 2HB LYS 62 21.671 5.139 7.096 478 HG2 LYS 62 1HG LYS 62 23.107 6.106 8.696 479 HG3 LYS 62 2HG LYS 62 23.660 7.340 7.563 480 HD2 LYS 62 1HD LYS 62 22.140 8.634 8.605 481 HD3 LYS 62 2HD LYS 62 20.988 7.802 7.559 482 HE2 LYS 62 1HE LYS 62 20.092 7.677 9.738 483 HE3 LYS 62 2HE LYS 62 20.762 6.082 9.401 484 HZ1 LYS 62 3HZ LYS 62 21.251 7.209 11.652 485 HZ2 LYS 62 1HZ LYS 62 22.398 8.100 10.785 486 HZ3 LYS 62 2HZ LYS 62 22.507 6.413 10.845 487 H LEU 63 H LEU 63 21.983 3.412 4.987 488 HA LEU 63 HA LEU 63 22.178 1.361 6.867 489 HB2 LEU 63 1HB LEU 63 20.390 1.247 5.364 490 HB3 LEU 63 2HB LEU 63 21.444 1.415 3.961 491 HG LEU 63 HG LEU 63 22.223 -0.849 4.212 492 HD11 LEU 63 1HD1 LEU 63 22.362 -1.580 6.325 493 HD12 LEU 63 2HD1 LEU 63 20.700 -2.113 6.074 494 HD13 LEU 63 3HD1 LEU 63 21.020 -0.572 6.870 495 HD21 LEU 63 3HD2 LEU 63 19.220 -0.714 4.469 496 HD22 LEU 63 1HD2 LEU 63 20.146 -2.062 3.809 497 HD23 LEU 63 2HD2 LEU 63 20.141 -0.505 2.979 498 H LEU 64 H LEU 64 23.911 1.744 3.780 499 HA LEU 64 HA LEU 64 25.516 -0.572 4.121 500 HB2 LEU 64 1HB LEU 64 26.608 0.057 2.167 501 HB3 LEU 64 2HB LEU 64 24.975 0.690 1.969 502 HG LEU 64 HG LEU 64 26.114 2.880 2.952 503 HD11 LEU 64 1HD1 LEU 64 28.342 1.133 2.240 504 HD12 LEU 64 2HD1 LEU 64 28.313 2.593 3.227 505 HD13 LEU 64 3HD1 LEU 64 28.407 2.718 1.471 506 HD21 LEU 64 3HD2 LEU 64 26.224 3.710 0.744 507 HD22 LEU 64 1HD2 LEU 64 24.958 2.482 0.738 508 HD23 LEU 64 2HD2 LEU 64 26.550 2.110 0.077 509 H LEU 65 H LEU 65 25.939 2.828 4.921 510 HA LEU 65 HA LEU 65 28.668 2.791 5.539 511 HB2 LEU 65 1HB LEU 65 26.353 4.502 6.225 512 HB3 LEU 65 2HB LEU 65 27.772 4.636 7.262 513 HG LEU 65 HG LEU 65 28.004 4.910 4.284 514 HD11 LEU 65 1HD1 LEU 65 27.836 7.384 5.857 515 HD12 LEU 65 2HD1 LEU 65 26.315 6.513 5.661 516 HD13 LEU 65 3HD1 LEU 65 27.231 7.017 4.241 517 HD21 LEU 65 3HD2 LEU 65 29.645 5.623 6.683 518 HD22 LEU 65 1HD2 LEU 65 29.861 6.486 5.160 519 HD23 LEU 65 2HD2 LEU 65 30.114 4.741 5.228 520 H SER 66 H SER 66 25.892 1.675 7.317 521 HA SER 66 HA SER 66 27.159 1.519 9.864 522 HB2 SER 66 1HB SER 66 24.684 0.201 8.737 523 HB3 SER 66 2HB SER 66 25.215 -0.012 10.405 524 HG SER 66 HG SER 66 24.375 1.851 10.848 525 H THR 67 H THR 67 27.078 -0.509 7.061 526 HA THR 67 HA THR 67 28.429 -2.660 8.551 527 HB THR 67 HB THR 67 26.410 -3.442 7.451 528 HG1 THR 67 HG1 THR 67 28.660 -4.316 5.939 529 HG21 THR 67 3HG2 THR 67 27.604 -2.064 5.082 530 HG22 THR 67 1HG2 THR 67 25.945 -2.032 5.679 531 HG23 THR 67 2HG2 THR 67 26.553 -3.459 4.840 532 H THR 68 H THR 68 29.238 -0.048 6.883 533 HA THR 68 HA THR 68 31.620 -1.331 5.731 534 HB THR 68 HB THR 68 31.594 0.152 3.818 535 HG1 THR 68 HG1 THR 68 30.579 1.970 4.638 536 HG21 THR 68 3HG2 THR 68 28.865 -0.598 3.402 537 HG22 THR 68 1HG2 THR 68 29.687 -1.878 4.294 538 HG23 THR 68 2HG2 THR 68 30.327 -1.332 2.744 539 H ARG 69 H ARG 69 33.454 0.148 5.471 540 HA ARG 69 HA ARG 69 33.367 2.371 7.404 541 HB2 ARG 69 1HB ARG 69 35.842 1.829 7.754 542 HB3 ARG 69 2HB ARG 69 34.671 0.727 8.464 543 HG2 ARG 69 1HG ARG 69 35.391 -0.080 5.785 544 HG3 ARG 69 2HG ARG 69 36.806 0.064 6.829 545 HD2 ARG 69 1HD ARG 69 35.758 -1.395 8.474 546 HD3 ARG 69 2HD ARG 69 34.314 -1.509 7.469 547 HE ARG 69 HE ARG 69 36.806 -2.907 7.099 548 HH11 ARG 69 2HH1 ARG 69 33.873 -1.793 5.590 549 HH12 ARG 69 1HH1 ARG 69 33.926 -2.969 4.319 550 HH21 ARG 69 2HH2 ARG 69 36.887 -4.460 5.430 551 HH22 ARG 69 1HH2 ARG 69 35.640 -4.487 4.230 552 H MET 70 H MET 70 33.154 2.103 4.358 553 HA MET 70 HA MET 70 35.476 3.301 3.253 554 HB2 MET 70 1HB MET 70 32.666 3.404 2.152 555 HB3 MET 70 2HB MET 70 34.163 3.608 1.253 556 HG2 MET 70 1HG MET 70 34.756 1.296 1.659 557 HG3 MET 70 2HG MET 70 33.308 1.079 2.640 558 HE1 MET 70 3HE MET 70 30.911 0.730 1.704 559 HE2 MET 70 1HE MET 70 31.000 2.426 1.228 560 HE3 MET 70 2HE MET 70 30.429 1.218 0.078 561 HA PRO 71 HA PRO 71 34.989 7.546 4.264 562 HB2 PRO 71 1HB PRO 71 36.027 8.729 2.052 563 HB3 PRO 71 2HB PRO 71 37.022 7.894 3.251 564 HG2 PRO 71 1HG PRO 71 36.020 6.912 0.607 565 HG3 PRO 71 2HG PRO 71 37.624 6.720 1.336 566 HD2 PRO 71 1HD PRO 71 35.765 4.752 1.367 567 HD3 PRO 71 2HD PRO 71 36.945 4.972 2.676 568 H ILE 72 H ILE 72 33.832 9.472 3.754 569 HA ILE 72 HA ILE 72 31.281 9.144 2.758 570 HB ILE 72 HB ILE 72 32.870 11.713 2.820 571 HG12 ILE 72 1HG1 ILE 72 30.851 11.171 4.893 572 HG13 ILE 72 2HG1 ILE 72 32.250 10.104 4.943 573 HG21 ILE 72 1HG2 ILE 72 30.965 12.060 1.453 574 HG22 ILE 72 2HG2 ILE 72 29.922 11.172 2.563 575 HG23 ILE 72 3HG2 ILE 72 30.580 12.739 3.034 576 HD11 ILE 72 3HD1 ILE 72 33.019 11.758 6.275 577 HD12 ILE 72 1HD1 ILE 72 33.528 12.419 4.721 578 HD13 ILE 72 2HD1 ILE 72 32.049 13.001 5.485 579 H ALA 73 H ALA 73 34.211 10.082 1.060 580 HA ALA 73 HA ALA 73 33.078 10.973 -1.337 581 HB1 ALA 73 1HB ALA 73 35.320 11.452 -1.179 582 HB2 ALA 73 2HB ALA 73 35.734 9.844 -0.584 583 HB3 ALA 73 3HB ALA 73 35.344 10.080 -2.288 584 H THR 74 H THR 74 34.137 7.718 -0.381 585 HA THR 74 HA THR 74 33.465 6.469 -2.828 586 HB THR 74 HB THR 74 33.703 5.248 -0.071 587 HG1 THR 74 HG1 THR 74 35.798 4.589 -1.191 588 HG21 THR 74 3HG2 THR 74 33.784 3.934 -2.790 589 HG22 THR 74 1HG2 THR 74 32.458 3.816 -1.634 590 HG23 THR 74 2HG2 THR 74 34.034 3.131 -1.240 591 H VAL 75 H VAL 75 31.748 6.657 0.284 592 HA VAL 75 HA VAL 75 29.504 5.160 -0.426 593 HB VAL 75 HB VAL 75 29.538 7.524 1.454 594 HG11 VAL 75 1HG1 VAL 75 27.443 5.868 0.602 595 HG12 VAL 75 2HG1 VAL 75 27.860 5.325 2.228 596 HG13 VAL 75 3HG1 VAL 75 27.432 7.013 1.943 597 HG21 VAL 75 3HG2 VAL 75 31.068 6.329 2.576 598 HG22 VAL 75 1HG2 VAL 75 29.714 5.285 3.010 599 HG23 VAL 75 2HG2 VAL 75 30.748 4.867 1.644 600 H GLY 76 H GLY 76 30.194 8.602 -0.855 601 HA2 GLY 76 1HA GLY 76 27.683 9.482 -1.667 602 HA3 GLY 76 2HA GLY 76 29.206 10.185 -2.191 603 H ARG 77 H ARG 77 30.125 7.726 -3.472 604 HA ARG 77 HA ARG 77 29.067 8.175 -6.051 605 HB2 ARG 77 1HB ARG 77 31.281 6.877 -4.998 606 HB3 ARG 77 2HB ARG 77 30.343 5.577 -5.720 607 HG2 ARG 77 1HG ARG 77 30.226 7.268 -7.747 608 HG3 ARG 77 2HG ARG 77 31.708 7.874 -7.004 609 HD2 ARG 77 1HD ARG 77 32.866 5.937 -7.409 610 HD3 ARG 77 2HD ARG 77 31.412 4.940 -7.399 611 HE ARG 77 HE ARG 77 31.176 6.553 -9.608 612 HH11 ARG 77 2HH1 ARG 77 33.473 4.211 -8.443 613 HH12 ARG 77 1HH1 ARG 77 33.967 3.714 -10.027 614 HH21 ARG 77 2HH2 ARG 77 31.818 5.907 -11.700 615 HH22 ARG 77 1HH2 ARG 77 33.025 4.679 -11.879 616 H ASN 78 H ASN 78 28.329 5.849 -3.537 617 HA ASN 78 HA ASN 78 26.799 4.067 -5.108 618 HB2 ASN 78 1HB ASN 78 27.023 4.632 -2.173 619 HB3 ASN 78 2HB ASN 78 25.731 3.587 -2.758 620 HD21 ASN 78 2HD2 ASN 78 28.861 3.690 -1.684 621 HD22 ASN 78 1HD2 ASN 78 29.400 2.151 -2.256 622 H VAL 79 H VAL 79 26.062 7.088 -3.518 623 HA VAL 79 HA VAL 79 23.207 6.798 -4.038 624 HB VAL 79 HB VAL 79 23.048 9.056 -2.951 625 HG11 VAL 79 1HG1 VAL 79 24.376 6.847 -1.385 626 HG12 VAL 79 2HG1 VAL 79 23.510 8.213 -0.680 627 HG13 VAL 79 3HG1 VAL 79 22.648 7.039 -1.675 628 HG21 VAL 79 3HG2 VAL 79 25.329 9.808 -3.470 629 HG22 VAL 79 1HG2 VAL 79 24.979 9.909 -1.745 630 HG23 VAL 79 2HG2 VAL 79 25.973 8.592 -2.367 631 H GLY 80 H GLY 80 25.594 7.361 -6.014 632 HA2 GLY 80 1HA GLY 80 25.612 8.289 -8.131 633 HA3 GLY 80 2HA GLY 80 24.013 8.946 -7.812 634 H PHE 81 H PHE 81 25.970 9.822 -5.293 635 HA PHE 81 HA PHE 81 26.282 12.508 -6.396 636 HB2 PHE 81 1HB PHE 81 26.510 11.455 -3.571 637 HB3 PHE 81 2HB PHE 81 26.776 13.136 -4.022 638 HD1 PHE 81 HD1 PHE 81 24.547 13.238 -6.122 639 HD2 PHE 81 HD2 PHE 81 24.677 11.822 -2.110 640 HE1 PHE 81 HE1 PHE 81 22.138 13.682 -5.891 641 HE2 PHE 81 HE2 PHE 81 22.268 12.263 -1.873 642 HZ PHE 81 HZ PHE 81 20.995 13.193 -3.765 643 H ASP 82 H ASP 82 28.151 13.055 -7.279 644 HA ASP 82 HA ASP 82 30.556 11.540 -6.715 645 HB2 ASP 82 1HB ASP 82 31.482 12.532 -8.615 646 HB3 ASP 82 2HB ASP 82 29.773 12.421 -9.024 647 H ASP 83 H ASP 83 29.146 14.593 -5.876 648 HA ASP 83 HA ASP 83 31.638 15.678 -4.857 649 HB2 ASP 83 1HB ASP 83 30.057 17.207 -5.907 650 HB3 ASP 83 2HB ASP 83 28.809 16.744 -4.754 651 H GLN 84 H GLN 84 32.390 15.182 -2.917 652 HA GLN 84 HA GLN 84 30.986 13.643 -1.030 653 HB2 GLN 84 1HB GLN 84 33.364 13.547 -1.019 654 HB3 GLN 84 2HB GLN 84 33.503 15.289 -0.825 655 HG2 GLN 84 1HG GLN 84 32.959 15.220 1.414 656 HG3 GLN 84 2HG GLN 84 32.140 13.666 1.273 657 HE21 GLN 84 2HE2 GLN 84 34.153 14.432 3.174 658 HE22 GLN 84 1HE2 GLN 84 35.491 13.363 2.948 659 H LEU 85 H LEU 85 31.522 17.114 -1.309 660 HA LEU 85 HA LEU 85 30.458 17.811 1.223 661 HB2 LEU 85 1HB LEU 85 31.116 19.251 -1.290 662 HB3 LEU 85 2HB LEU 85 30.053 20.054 -0.136 663 HG LEU 85 HG LEU 85 32.385 20.750 0.122 664 HD11 LEU 85 1HD1 LEU 85 32.534 20.486 2.503 665 HD12 LEU 85 2HD1 LEU 85 31.469 19.081 2.457 666 HD13 LEU 85 3HD1 LEU 85 30.838 20.678 2.058 667 HD21 LEU 85 3HD2 LEU 85 34.143 19.339 0.466 668 HD22 LEU 85 1HD2 LEU 85 33.133 18.301 -0.541 669 HD23 LEU 85 2HD2 LEU 85 33.142 18.091 1.210 670 H TYR 86 H TYR 86 29.034 17.263 -1.928 671 HA TYR 86 HA TYR 86 26.522 18.432 -1.476 672 HB2 TYR 86 1HB TYR 86 27.402 17.686 -3.696 673 HB3 TYR 86 2HB TYR 86 27.112 16.021 -3.203 674 HD1 TYR 86 HD1 TYR 86 24.702 15.382 -2.581 675 HD2 TYR 86 HD2 TYR 86 25.703 18.929 -4.707 676 HE1 TYR 86 HE1 TYR 86 22.387 15.539 -3.397 677 HE2 TYR 86 HE2 TYR 86 23.391 19.097 -5.527 678 HH TYR 86 HH TYR 86 21.132 18.314 -4.840 679 H PHE 87 H PHE 87 27.629 15.083 -1.033 680 HA PHE 87 HA PHE 87 25.161 14.103 -0.059 681 HB2 PHE 87 1HB PHE 87 26.750 12.533 -0.918 682 HB3 PHE 87 2HB PHE 87 27.989 13.079 0.207 683 HD1 PHE 87 HD1 PHE 87 24.798 11.253 -0.074 684 HD2 PHE 87 HD2 PHE 87 28.133 12.202 2.395 685 HE1 PHE 87 HE1 PHE 87 24.109 9.511 1.521 686 HE2 PHE 87 HE2 PHE 87 27.450 10.461 3.993 687 HZ PHE 87 HZ PHE 87 25.435 9.112 3.557 688 H SER 88 H SER 88 28.075 15.299 1.561 689 HA SER 88 HA SER 88 27.222 14.771 4.197 690 HB2 SER 88 1HB SER 88 29.089 16.016 4.904 691 HB3 SER 88 2HB SER 88 29.584 15.368 3.340 692 HG SER 88 HG SER 88 29.423 17.916 4.101 693 H ARG 89 H ARG 89 26.793 17.535 2.060 694 HA ARG 89 HA ARG 89 25.766 19.341 3.955 695 HB2 ARG 89 1HB ARG 89 25.620 19.100 0.978 696 HB3 ARG 89 2HB ARG 89 24.577 20.260 1.790 697 HG2 ARG 89 1HG ARG 89 26.392 21.502 2.595 698 HG3 ARG 89 2HG ARG 89 27.537 20.201 2.260 699 HD2 ARG 89 1HD ARG 89 26.868 20.518 -0.198 700 HD3 ARG 89 2HD ARG 89 26.173 22.050 0.331 701 HE ARG 89 HE ARG 89 28.742 22.030 1.309 702 HH11 ARG 89 2HH1 ARG 89 27.240 21.806 -1.824 703 HH12 ARG 89 1HH1 ARG 89 28.566 22.546 -2.657 704 HH21 ARG 89 2HH2 ARG 89 30.494 23.006 0.223 705 HH22 ARG 89 1HH2 ARG 89 30.417 23.228 -1.492 706 H VAL 90 H VAL 90 24.089 17.148 1.706 707 HA VAL 90 HA VAL 90 21.488 17.779 2.670 708 HB VAL 90 HB VAL 90 22.422 15.351 1.132 709 HG11 VAL 90 1HG1 VAL 90 20.380 14.552 1.515 710 HG12 VAL 90 2HG1 VAL 90 19.863 16.056 2.280 711 HG13 VAL 90 3HG1 VAL 90 19.760 15.875 0.529 712 HG21 VAL 90 3HG2 VAL 90 21.146 17.902 0.147 713 HG22 VAL 90 1HG2 VAL 90 22.852 17.484 -0.015 714 HG23 VAL 90 2HG2 VAL 90 21.626 16.523 -0.841 715 H PHE 91 H PHE 91 23.710 15.071 3.255 716 HA PHE 91 HA PHE 91 22.030 13.598 4.950 717 HB2 PHE 91 1HB PHE 91 24.086 12.689 3.929 718 HB3 PHE 91 2HB PHE 91 25.053 13.730 4.969 719 HD1 PHE 91 HD1 PHE 91 25.240 13.281 7.352 720 HD2 PHE 91 HD2 PHE 91 23.024 10.713 4.781 721 HE1 PHE 91 HE1 PHE 91 25.248 11.540 9.091 722 HE2 PHE 91 HE2 PHE 91 23.027 8.968 6.516 723 HZ PHE 91 HZ PHE 91 24.140 9.380 8.674 724 H LYS 92 H LYS 92 24.238 16.257 5.579 725 HA LYS 92 HA LYS 92 24.351 16.126 8.362 726 HB2 LYS 92 1HB LYS 92 25.820 17.604 7.169 727 HB3 LYS 92 2HB LYS 92 24.463 18.496 6.494 728 HG2 LYS 92 1HG LYS 92 24.504 18.437 9.415 729 HG3 LYS 92 2HG LYS 92 25.902 19.231 8.687 730 HD2 LYS 92 1HD LYS 92 23.885 20.273 7.203 731 HD3 LYS 92 2HD LYS 92 23.078 20.054 8.758 732 HE2 LYS 92 1HE LYS 92 24.060 22.268 8.624 733 HE3 LYS 92 2HE LYS 92 24.883 21.309 9.853 734 HZ1 LYS 92 3HZ LYS 92 26.781 21.189 8.625 735 HZ2 LYS 92 1HZ LYS 92 26.218 22.697 8.101 736 HZ3 LYS 92 2HZ LYS 92 25.984 21.325 7.139 737 H LYS 93 H LYS 93 22.050 17.845 6.271 738 HA LYS 93 HA LYS 93 20.495 18.815 8.473 739 HB2 LYS 93 1HB LYS 93 19.664 18.624 5.576 740 HB3 LYS 93 2HB LYS 93 18.990 19.683 6.808 741 HG2 LYS 93 1HG LYS 93 21.160 20.848 6.948 742 HG3 LYS 93 2HG LYS 93 21.762 19.828 5.639 743 HD2 LYS 93 1HD LYS 93 19.400 21.700 5.467 744 HD3 LYS 93 2HD LYS 93 21.012 22.019 4.823 745 HE2 LYS 93 1HE LYS 93 20.028 21.217 2.934 746 HE3 LYS 93 2HE LYS 93 20.575 19.690 3.626 747 HZ1 LYS 93 3HZ LYS 93 18.047 20.217 2.871 748 HZ2 LYS 93 1HZ LYS 93 17.971 20.534 4.531 749 HZ3 LYS 93 2HZ LYS 93 18.488 19.020 3.983 750 H CYS 94 H CYS 94 20.539 15.941 6.551 751 HA CYS 94 HA CYS 94 17.921 15.047 6.784 752 HB2 CYS 94 1HB CYS 94 19.815 13.992 5.463 753 HB3 CYS 94 2HB CYS 94 20.345 13.258 6.972 754 HG CYS 94 HG CYS 94 17.154 12.627 6.577 755 H THR 95 H THR 95 20.653 14.490 8.992 756 HA THR 95 HA THR 95 18.722 13.621 11.040 757 HB THR 95 HB THR 95 20.696 12.590 12.185 758 HG1 THR 95 HG1 THR 95 22.642 12.662 11.263 759 HG21 THR 95 3HG2 THR 95 20.617 10.622 10.937 760 HG22 THR 95 1HG2 THR 95 20.490 11.483 9.404 761 HG23 THR 95 2HG2 THR 95 19.112 11.430 10.503 762 H GLY 96 H GLY 96 20.670 16.183 10.122 763 HA2 GLY 96 1HA GLY 96 20.698 18.243 11.291 764 HA3 GLY 96 2HA GLY 96 20.413 17.369 12.788 765 H ALA 97 H ALA 97 22.683 15.565 11.400 766 HA ALA 97 HA ALA 97 24.952 17.234 12.218 767 HB1 ALA 97 1HB ALA 97 25.018 14.391 13.057 768 HB2 ALA 97 2HB ALA 97 25.732 15.815 13.815 769 HB3 ALA 97 3HB ALA 97 24.007 15.496 13.988 770 H SER 98 H SER 98 26.927 16.711 11.247 771 HA SER 98 HA SER 98 26.761 15.667 8.631 772 HB2 SER 98 1HB SER 98 28.903 16.723 10.383 773 HB3 SER 98 2HB SER 98 29.427 15.650 9.085 774 HG SER 98 HG SER 98 29.259 17.981 8.594 775 HA PRO 99 HA PRO 99 27.536 11.369 9.040 776 HB2 PRO 99 1HB PRO 99 29.274 10.874 7.014 777 HB3 PRO 99 2HB PRO 99 27.567 11.244 6.746 778 HG2 PRO 99 1HG PRO 99 29.949 13.046 6.549 779 HG3 PRO 99 2HG PRO 99 28.550 12.918 5.466 780 HD2 PRO 99 1HD PRO 99 28.782 14.876 7.323 781 HD3 PRO 99 2HD PRO 99 27.214 14.201 6.838 782 H SER 100 H SER 100 30.399 13.417 8.826 783 HA SER 100 HA SER 100 32.265 11.478 9.707 784 HB2 SER 100 1HB SER 100 33.816 13.282 9.911 785 HB3 SER 100 2HB SER 100 32.792 13.662 8.527 786 HG SER 100 HG SER 100 32.609 14.723 11.150 787 H GLU 101 H GLU 101 30.168 13.742 11.371 788 HA GLU 101 HA GLU 101 31.372 13.386 13.941 789 HB2 GLU 101 1HB GLU 101 30.047 15.400 13.257 790 HB3 GLU 101 2HB GLU 101 28.599 14.404 13.309 791 HG2 GLU 101 1HG GLU 101 28.455 15.244 15.388 792 HG3 GLU 101 2HG GLU 101 29.544 13.908 15.757 793 H PHE 102 H PHE 102 28.421 12.155 12.392 794 HA PHE 102 HA PHE 102 27.578 10.583 14.582 795 HB2 PHE 102 1HB PHE 102 26.139 11.294 12.652 796 HB3 PHE 102 2HB PHE 102 26.970 10.100 11.661 797 HD1 PHE 102 HD1 PHE 102 24.958 10.448 14.764 798 HD2 PHE 102 HD2 PHE 102 26.204 7.913 11.580 799 HE1 PHE 102 HE1 PHE 102 23.368 8.727 15.516 800 HE2 PHE 102 HE2 PHE 102 24.616 6.189 12.326 801 HZ PHE 102 HZ PHE 102 23.194 6.595 14.296 802 H ARG 103 H ARG 103 29.393 9.767 11.639 803 HA ARG 103 HA ARG 103 29.689 7.021 12.225 804 HB2 ARG 103 1HB ARG 103 30.068 8.291 10.000 805 HB3 ARG 103 2HB ARG 103 31.685 8.593 10.621 806 HG2 ARG 103 1HG ARG 103 30.702 5.797 10.658 807 HG3 ARG 103 2HG ARG 103 31.120 6.505 9.096 808 HD2 ARG 103 1HD ARG 103 33.340 6.701 9.624 809 HD3 ARG 103 2HD ARG 103 33.026 6.840 11.354 810 HE ARG 103 HE ARG 103 32.387 4.252 10.302 811 HH11 ARG 103 2HH1 ARG 103 34.951 6.272 11.514 812 HH12 ARG 103 1HH1 ARG 103 35.939 4.940 12.016 813 HH21 ARG 103 2HH2 ARG 103 33.680 2.491 10.958 814 HH22 ARG 103 1HH2 ARG 103 35.216 2.790 11.698 815 H ALA 104 H ALA 104 31.458 9.863 13.201 816 HA ALA 104 HA ALA 104 33.850 8.673 14.042 817 HB1 ALA 104 1HB ALA 104 32.407 11.179 14.802 818 HB2 ALA 104 2HB ALA 104 33.858 10.686 15.676 819 HB3 ALA 104 3HB ALA 104 33.933 10.983 13.939 820 H GLY 105 H GLY 105 30.689 8.779 15.503 821 HA2 GLY 105 1HA GLY 105 29.885 7.425 17.212 822 HA3 GLY 105 2HA GLY 105 31.521 6.843 17.483 823 H CYS 106 H CYS 106 31.352 10.216 17.369 824 HA CYS 106 HA CYS 106 31.827 10.363 20.231 825 HB2 CYS 106 1HB CYS 106 33.214 11.579 18.464 826 HB3 CYS 106 2HB CYS 106 31.842 12.665 18.283 827 HG CYS 106 HG CYS 106 34.288 13.050 20.260 828 H GLU 107 H GLU 107 30.330 10.898 21.671 829 HA GLU 107 HA GLU 107 27.811 12.060 20.700 830 HB2 GLU 107 1HB GLU 107 28.481 10.379 23.106 831 HB3 GLU 107 2HB GLU 107 26.971 11.272 22.994 832 HG2 GLU 107 1HG GLU 107 26.712 10.051 20.723 833 HG3 GLU 107 2HG GLU 107 27.913 8.943 21.383
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